Details
Stereochemistry | ABSOLUTE |
Molecular Formula | C26H25F3N6O5.CH4O3S |
Molecular Weight | 654.615 |
Optical Activity | UNSPECIFIED |
Defined Stereocenters | 5 / 5 |
E/Z Centers | 0 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
CS(O)(=O)=O.[H][C@@]12CN(C[C@]1([H])[C@H]2NC(=O)[C@H](C)NC(=O)[C@H](C)N)C3=NC4=C(C=C3F)C(=O)C(=CN4C5=CC=C(F)C=C5F)C(O)=O
InChI
InChIKey=CYETUYYEVKNSHZ-LGOOQLFJSA-N
InChI=1S/C26H25F3N6O5.CH4O3S/c1-10(30)24(37)31-11(2)25(38)32-20-14-7-34(8-15(14)20)23-18(29)6-13-21(36)16(26(39)40)9-35(22(13)33-23)19-4-3-12(27)5-17(19)28;1-5(2,3)4/h3-6,9-11,14-15,20H,7-8,30H2,1-2H3,(H,31,37)(H,32,38)(H,39,40);1H3,(H,2,3,4)/t10-,11-,14-,15+,20+;/m0./s1
Molecular Formula | C26H25F3N6O5 |
Molecular Weight | 558.5091 |
Charge | 0 |
Count |
|
Stereochemistry | ABSOLUTE |
Additional Stereochemistry | No |
Defined Stereocenters | 5 / 5 |
E/Z Centers | 0 |
Optical Activity | UNSPECIFIED |
Molecular Formula | CH4O3S |
Molecular Weight | 96.106 |
Charge | 0 |
Count |
|
Stereochemistry | ACHIRAL |
Additional Stereochemistry | No |
Defined Stereocenters | 0 / 0 |
E/Z Centers | 0 |
Optical Activity | NONE |
Approval Year
Substance Class |
Chemical
Created
by
admin
on
Edited
Fri Dec 15 15:52:36 UTC 2023
by
admin
on
Fri Dec 15 15:52:36 UTC 2023
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Record UNII |
2IXX802851
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Record Status |
Validated (UNII)
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Record Version |
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-
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Classification Tree | Code System | Code | ||
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NCI_THESAURUS |
C795
Created by
admin on Fri Dec 15 15:52:36 UTC 2023 , Edited by admin on Fri Dec 15 15:52:36 UTC 2023
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Code System | Code | Type | Description | ||
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100000088003
Created by
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146961-77-5
Created by
admin on Fri Dec 15 15:52:36 UTC 2023 , Edited by admin on Fri Dec 15 15:52:36 UTC 2023
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C106856
Created by
admin on Fri Dec 15 15:52:36 UTC 2023 , Edited by admin on Fri Dec 15 15:52:36 UTC 2023
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157605-25-9
Created by
admin on Fri Dec 15 15:52:36 UTC 2023 , Edited by admin on Fri Dec 15 15:52:36 UTC 2023
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HH-30
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admin on Fri Dec 15 15:52:36 UTC 2023 , Edited by admin on Fri Dec 15 15:52:36 UTC 2023
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DTXSID2057655
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admin on Fri Dec 15 15:52:36 UTC 2023 , Edited by admin on Fri Dec 15 15:52:36 UTC 2023
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221054
Created by
admin on Fri Dec 15 15:52:36 UTC 2023 , Edited by admin on Fri Dec 15 15:52:36 UTC 2023
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C65217
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admin on Fri Dec 15 15:52:36 UTC 2023 , Edited by admin on Fri Dec 15 15:52:36 UTC 2023
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2IXX802851
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admin on Fri Dec 15 15:52:36 UTC 2023 , Edited by admin on Fri Dec 15 15:52:36 UTC 2023
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DBSALT001331
Created by
admin on Fri Dec 15 15:52:36 UTC 2023 , Edited by admin on Fri Dec 15 15:52:36 UTC 2023
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5282517
Created by
admin on Fri Dec 15 15:52:36 UTC 2023 , Edited by admin on Fri Dec 15 15:52:36 UTC 2023
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SUB00322MIG
Created by
admin on Fri Dec 15 15:52:36 UTC 2023 , Edited by admin on Fri Dec 15 15:52:36 UTC 2023
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CHEMBL1201197
Created by
admin on Fri Dec 15 15:52:36 UTC 2023 , Edited by admin on Fri Dec 15 15:52:36 UTC 2023
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PRIMARY |
Related Record | Type | Details | ||
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PARENT -> SALT/SOLVATE |
Related Record | Type | Details | ||
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ACTIVE MOIETY |