Details
Stereochemistry | ABSOLUTE |
Molecular Formula | C30H29F8NO5S |
Molecular Weight | 667.607 |
Optical Activity | UNSPECIFIED |
Defined Stereocenters | 5 / 5 |
E/Z Centers | 0 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
[H][C@@]12CCC3=CC(=CC=C3[C@@]1(CCN2C(=O)[C@@H]4CC[C@H](C[C@@H]4C)C(O)=O)S(=O)(=O)C5=CC=C(F)C=C5)C(F)(C(F)(F)F)C(F)(F)F
InChI
InChIKey=JQORWGARJVSRBA-QOTTZFGFSA-N
InChI=1S/C30H29F8NO5S/c1-16-14-18(26(41)42)2-9-22(16)25(40)39-13-12-27(45(43,44)21-7-5-20(31)6-8-21)23-10-4-19(15-17(23)3-11-24(27)39)28(32,29(33,34)35)30(36,37)38/h4-8,10,15-16,18,22,24H,2-3,9,11-14H2,1H3,(H,41,42)/t16-,18+,22+,24+,27+/m0/s1
Molecular Formula | C30H29F8NO5S |
Molecular Weight | 667.607 |
Charge | 0 |
Count |
|
Stereochemistry | ABSOLUTE |
Additional Stereochemistry | No |
Defined Stereocenters | 5 / 5 |
E/Z Centers | 0 |
Optical Activity | UNSPECIFIED |
Approval Year
Substance Class |
Chemical
Created
by
admin
on
Edited
Thu Jul 06 22:13:27 UTC 2023
by
admin
on
Thu Jul 06 22:13:27 UTC 2023
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Record UNII |
2WQX2MS3MQ
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Record Status |
Validated (UNII)
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Record Version |
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-
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2WQX2MS3MQ
Created by
admin on Thu Jul 06 22:13:27 UTC 2023 , Edited by admin on Thu Jul 06 22:13:27 UTC 2023
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132123624
Created by
admin on Thu Jul 06 22:13:27 UTC 2023 , Edited by admin on Thu Jul 06 22:13:27 UTC 2023
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2041841-30-7
Created by
admin on Thu Jul 06 22:13:27 UTC 2023 , Edited by admin on Thu Jul 06 22:13:27 UTC 2023
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PRIMARY |
Related Record | Type | Details | ||
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BINDER->LIGAND |
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TARGET->INVERSE AGONIST |
EC50
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Related Record | Type | Details | ||
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ACTIVE MOIETY |
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