Details
Stereochemistry | ABSOLUTE |
Molecular Formula | C30H29F8NO5S |
Molecular Weight | 667.6094 |
Optical Activity | UNSPECIFIED |
Defined Stereocenters | 5 / 5 |
E/Z Centers | 0 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
C[C@@]1([H])C[C@@]([H])(CC[C@@]1([H])C(=O)N2CC[C@]3(c4ccc(cc4CC[C@]32[H])C(C(F)(F)F)(C(F)(F)F)F)S(=O)(=O)c5ccc(cc5)F)C(=O)O
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 | 667.6094 |
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
Sat Jun 26 10:13:34 UTC 2021
by
admin
on
Sat Jun 26 10:13:34 UTC 2021
|
Record UNII |
2WQX2MS3MQ
|
Record Status |
Validated (UNII)
|
Record Version |
|
-
Download
Name | Type | Language | ||
---|---|---|---|---|
|
Code | English | ||
|
Common Name | English |
Code System | Code | Type | Description | ||
---|---|---|---|---|---|
|
2WQX2MS3MQ
Created by
admin on Sat Jun 26 10:13:34 UTC 2021 , Edited by admin on Sat Jun 26 10:13:34 UTC 2021
|
PRIMARY | |||
|
132123624
Created by
admin on Sat Jun 26 10:13:34 UTC 2021 , Edited by admin on Sat Jun 26 10:13:34 UTC 2021
|
PRIMARY | |||
|
2041841-30-7
Created by
admin on Sat Jun 26 10:13:34 UTC 2021 , Edited by admin on Sat Jun 26 10:13:34 UTC 2021
|
PRIMARY |
Related Record | Type | Details | ||
---|---|---|---|---|
|
BINDER->LIGAND |
|
||
|
TARGET->INVERSE AGONIST |
EC50
|
Related Record | Type | Details | ||
---|---|---|---|---|
|
ACTIVE MOIETY |