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Details

Stereochemistry ABSOLUTE
Molecular Formula C28H26FN5O3S
Molecular Weight 531.6033
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of BMS-791826

SMILES

CCN(C)C(=O)c1ccc(cc1F)-c2ccc3[C@]([H])(c4ccccc4Oc3n2)C(C)(C)C(=Nc5nncs5)O

InChI

InChIKey=DZBKAUMYTFPJIS-QHCPKHFHSA-N
InChI=1S/C28H26FN5O3S/c1-5-34(4)25(35)17-11-10-16(14-20(17)29)21-13-12-19-23(18-8-6-7-9-22(18)37-24(19)31-21)28(2,3)26(36)32-27-33-30-15-38-27/h6-15,23H,5H2,1-4H3,(H,32,33,36)/t23-/m0/s1

HIDE SMILES / InChI

Molecular Formula C28H26FN5O3S
Molecular Weight 531.6033
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Jun 26 13:48:00 UTC 2021
Edited
by admin
on Sat Jun 26 13:48:00 UTC 2021
Record UNII
60BN6CDL0K
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
BMS-791826
Common Name English
5H-(1)BENZOPYRANO(2,3-B)PYRIDINE-5-ACETAMIDE, 2-(4-((ETHYLMETHYLAMINO)CARBONYL)-3-FLUOROPHENYL)-.ALPHA.,.ALPHA.-DIMETHYL-N-1,3,4-THIADIAZOL-2-YL-, (5S)-
Systematic Name English
Code System Code Type Description
FDA UNII
60BN6CDL0K
Created by admin on Sat Jun 26 13:48:00 UTC 2021 , Edited by admin on Sat Jun 26 13:48:00 UTC 2021
PRIMARY
CAS
1008116-73-1
Created by admin on Sat Jun 26 13:48:00 UTC 2021 , Edited by admin on Sat Jun 26 13:48:00 UTC 2021
PRIMARY
DRUG BANK
DB15023
Created by admin on Sat Jun 26 13:48:00 UTC 2021 , Edited by admin on Sat Jun 26 13:48:00 UTC 2021
PRIMARY
PUBCHEM
53359074
Created by admin on Sat Jun 26 13:48:00 UTC 2021 , Edited by admin on Sat Jun 26 13:48:00 UTC 2021
PRIMARY
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TARGET -> AGONIST
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