Details
Stereochemistry | ABSOLUTE |
Molecular Formula | C30H35F7N4O2 |
Molecular Weight | 616.6133 |
Optical Activity | UNSPECIFIED |
Defined Stereocenters | 3 / 3 |
E/Z Centers | 0 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
C[C@@H](N(C)C(=O)N1CC[C@@H](C[C@@H]1C2=C(C)C=C(F)C=C2)N3CCN(CC3)C(C)=O)C4=CC(=CC(=C4)C(F)(F)F)C(F)(F)F
InChI
InChIKey=XGGTZCKQRWXCHW-WMTVXVAQSA-N
InChI=1S/C30H35F7N4O2/c1-18-13-24(31)5-6-26(18)27-17-25(40-11-9-39(10-12-40)20(3)42)7-8-41(27)28(43)38(4)19(2)21-14-22(29(32,33)34)16-23(15-21)30(35,36)37/h5-6,13-16,19,25,27H,7-12,17H2,1-4H3/t19-,25+,27-/m1/s1
Molecular Formula | C30H35F7N4O2 |
Molecular Weight | 616.6133 |
Charge | 0 |
Count |
|
Stereochemistry | ABSOLUTE |
Additional Stereochemistry | No |
Defined Stereocenters | 3 / 3 |
E/Z Centers | 0 |
Optical Activity | UNSPECIFIED |
Approval Year
Substance Class |
Chemical
Created
by
admin
on
Edited
Sat Dec 16 16:25:25 UTC 2023
by
admin
on
Sat Dec 16 16:25:25 UTC 2023
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Record UNII |
3B03KPM27L
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Record Status |
Validated (UNII)
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Record Version |
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-
Download
Name | Type | Language | ||
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Official Name | English | ||
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Common Name | English | ||
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Common Name | English | ||
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Code | English | ||
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Common Name | English | ||
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Code | English |
Classification Tree | Code System | Code | ||
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WHO-VATC |
QA04AD13
Created by
admin on Sat Dec 16 16:25:27 UTC 2023 , Edited by admin on Sat Dec 16 16:25:27 UTC 2023
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NCI_THESAURUS |
C265
Created by
admin on Sat Dec 16 16:25:27 UTC 2023 , Edited by admin on Sat Dec 16 16:25:27 UTC 2023
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WHO-ATC |
A04AD13
Created by
admin on Sat Dec 16 16:25:27 UTC 2023 , Edited by admin on Sat Dec 16 16:25:27 UTC 2023
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Code System | Code | Type | Description | ||
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C71635
Created by
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SUB32122
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C531951
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DTXSID40961762
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4401
Created by
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3B03KPM27L
Created by
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CHEMBL1672054
Created by
admin on Sat Dec 16 16:25:27 UTC 2023 , Edited by admin on Sat Dec 16 16:25:27 UTC 2023
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9917021
Created by
admin on Sat Dec 16 16:25:27 UTC 2023 , Edited by admin on Sat Dec 16 16:25:27 UTC 2023
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414910-27-3
Created by
admin on Sat Dec 16 16:25:27 UTC 2023 , Edited by admin on Sat Dec 16 16:25:27 UTC 2023
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100000124413
Created by
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DB06634
Created by
admin on Sat Dec 16 16:25:27 UTC 2023 , Edited by admin on Sat Dec 16 16:25:27 UTC 2023
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CASOPITANT
Created by
admin on Sat Dec 16 16:25:27 UTC 2023 , Edited by admin on Sat Dec 16 16:25:27 UTC 2023
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8701
Created by
admin on Sat Dec 16 16:25:27 UTC 2023 , Edited by admin on Sat Dec 16 16:25:27 UTC 2023
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PRIMARY |
Related Record | Type | Details | ||
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METABOLIC ENZYME -> SUBSTRATE |
MAJOR
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SALT/SOLVATE -> PARENT |
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TARGET -> INHIBITOR |
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Related Record | Type | Details | ||
---|---|---|---|---|
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METABOLITE -> PARENT |
FECAL; PLASMA
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METABOLITE -> PARENT |
after oral administration, at 1h
PLASMA
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METABOLITE -> PARENT |
FECAL; PLASMA
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METABOLITE -> PARENT |
PLASMA
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METABOLITE -> PARENT |
after oral administration, at 1h
MAJOR
PLASMA
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METABOLITE -> PARENT |
after oral administration, at 1h
MAJOR
PLASMA
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METABOLITE -> PARENT |
MAJOR
URINE
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Related Record | Type | Details | ||
---|---|---|---|---|
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ACTIVE MOIETY |
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Name | Property Type | Amount | Referenced Substance | Defining | Parameters | References |
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Biological Half-life | PHARMACOKINETIC |
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ORAL ADMINISTRATION |
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Tmax | PHARMACOKINETIC |
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ORAL ADMINISTRATION |
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Biological Half-life | PHARMACOKINETIC |
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INTRAVENOUS ADMINISTRATION |
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Tmax | PHARMACOKINETIC |
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INTRAVENOUS ADMINISTRATION |
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