Details
Stereochemistry | ABSOLUTE |
Molecular Formula | C31H35F7N4O2 |
Molecular Weight | 628.624 |
Optical Activity | UNSPECIFIED |
Defined Stereocenters | 4 / 4 |
E/Z Centers | 0 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
[H][C@@]12CCC(=O)N1CCN(C2)[C@H]3CCN([C@H](C3)C4=CC=C(F)C=C4C)C(=O)N(C)[C@H](C)C5=CC(=CC(=C5)C(F)(F)F)C(F)(F)F
InChI
InChIKey=XWNBGDJPEXZSQM-VZOBGQTKSA-N
InChI=1S/C31H35F7N4O2/c1-18-12-23(32)4-6-26(18)27-16-24(40-10-11-41-25(17-40)5-7-28(41)43)8-9-42(27)29(44)39(3)19(2)20-13-21(30(33,34)35)15-22(14-20)31(36,37)38/h4,6,12-15,19,24-25,27H,5,7-11,16-17H2,1-3H3/t19-,24+,25+,27-/m1/s1
Molecular Formula | C31H35F7N4O2 |
Molecular Weight | 628.624 |
Charge | 0 |
Count |
|
Stereochemistry | ABSOLUTE |
Additional Stereochemistry | No |
Defined Stereocenters | 4 / 4 |
E/Z Centers | 0 |
Optical Activity | UNSPECIFIED |
Approval Year
Substance Class |
Chemical
Created
by
admin
on
Edited
Fri Dec 15 16:57:38 UTC 2023
by
admin
on
Fri Dec 15 16:57:38 UTC 2023
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Record UNII |
IIU6V0W3JD
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Record Status |
Validated (UNII)
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Record Version |
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-
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Official Name | English | ||
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Common Name | English | ||
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Code | English | ||
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Code | English |
Classification Tree | Code System | Code | ||
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NCI_THESAURUS |
C28197
Created by
admin on Fri Dec 15 16:57:38 UTC 2023 , Edited by admin on Fri Dec 15 16:57:38 UTC 2023
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NCI_THESAURUS |
C265
Created by
admin on Fri Dec 15 16:57:38 UTC 2023 , Edited by admin on Fri Dec 15 16:57:38 UTC 2023
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Code System | Code | Type | Description | ||
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DB12427
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WW-127
Created by
admin on Fri Dec 15 16:57:38 UTC 2023 , Edited by admin on Fri Dec 15 16:57:38 UTC 2023
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C90613
Created by
admin on Fri Dec 15 16:57:38 UTC 2023 , Edited by admin on Fri Dec 15 16:57:38 UTC 2023
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9852175
Created by
admin on Fri Dec 15 16:57:38 UTC 2023 , Edited by admin on Fri Dec 15 16:57:38 UTC 2023
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8684
Created by
admin on Fri Dec 15 16:57:38 UTC 2023 , Edited by admin on Fri Dec 15 16:57:38 UTC 2023
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IIU6V0W3JD
Created by
admin on Fri Dec 15 16:57:38 UTC 2023 , Edited by admin on Fri Dec 15 16:57:38 UTC 2023
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PRIMARY | |||
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100000175883
Created by
admin on Fri Dec 15 16:57:38 UTC 2023 , Edited by admin on Fri Dec 15 16:57:38 UTC 2023
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579475-18-6
Created by
admin on Fri Dec 15 16:57:38 UTC 2023 , Edited by admin on Fri Dec 15 16:57:38 UTC 2023
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Orvepitant
Created by
admin on Fri Dec 15 16:57:38 UTC 2023 , Edited by admin on Fri Dec 15 16:57:38 UTC 2023
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DTXSID40973522
Created by
admin on Fri Dec 15 16:57:38 UTC 2023 , Edited by admin on Fri Dec 15 16:57:38 UTC 2023
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CHEMBL2105667
Created by
admin on Fri Dec 15 16:57:38 UTC 2023 , Edited by admin on Fri Dec 15 16:57:38 UTC 2023
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PRIMARY |
Related Record | Type | Details | ||
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TARGET -> INHIBITOR |
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SALT/SOLVATE -> PARENT | |||
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SALT/SOLVATE -> PARENT |
Related Record | Type | Details | ||
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ACTIVE MOIETY |