Binder Information
| Binder General Information | Top | |||
|---|---|---|---|---|
| Binder ID |
B4R5IC
|
|||
| Binder Name |
(2R,3Ar,7aR)-1-[2-[[4-[[4-chloro-3-[[2-(3,5-ditert-butyl-4-hydroxyphenyl)sulfanylacetyl]sulfamoyl]benzoyl]sulfamoyl]benzoyl]amino]-3-methylbutanoyl]-N-(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxamide
|
|||
| Synonyms |
CHEMBL265769; BDBM50058473
Click to Show/Hide
|
|||
| Binder Type |
Small molecular drug
|
|||
| Structure |
 |
Download2D MOL
|
||
| Formula |
C50H63ClF3N5O11S3
|
|||
| Canonical SMILES |
CC(C)C(C(=O)C(F)(F)F)NC(=O)[C@H]1C[C@H]2CCCC[C@H]2N1C(=O)C(C(C)C)NC(=O)C3=CC=C(C=C3)S(=O)(=O)NC(=O)C4=CC(=C(C=C4)Cl)S(=O)(=O)NC(=O)CSC5=CC(=C(C(=C5)C(C)(C)C)O)C(C)(C)C
|
|||
| InChI |
1S/C50H63ClF3N5O11S3/c1-26(2)40(43(62)50(52,53)54)55-46(65)37-21-29-13-11-12-14-36(29)59(37)47(66)41(27(3)4)56-44(63)28-15-18-32(19-16-28)72(67,68)58-45(64)30-17-20-35(51)38(22-30)73(69,70)57-39(60)25-71-31-23-33(48(5,6)7)42(61)34(24-31)49(8,9)10/h15-20,22-24,26-27,29,36-37,40-41,61H,11-14,21,25H2,1-10H3,(H,55,65)(H,56,63)(H,57,60)(H,58,64)/t29-,36-,37-,40?,41?/m1/s1
|
|||
| InChIKey |
SQEKFRREQBQUKS-VGSVOMNFSA-N
|
|||
| PubChem Compound ID | ||||
If You Find Any Error in Data or Bug in Web Service, Please Kindly Report It to Dr. Zhou and Dr. Zhang.