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Details

Stereochemistry ABSOLUTE
Molecular Formula C26H28N8O3S
Molecular Weight 532.617
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of BEVUROGANT

SMILES

C[C@@H](C1CC1)N2C(=O)C(NCC3=NC=C(C=C3)S(C)(=O)=O)=NC4=C2N=C(N=C4)C5=C(N=CN=C5C)C6CC6

InChI

InChIKey=HVVHIBHBDCYLDI-HNNXBMFYSA-N
InChI=1S/C26H28N8O3S/c1-14-21(22(17-6-7-17)31-13-30-14)23-29-12-20-25(33-23)34(15(2)16-4-5-16)26(35)24(32-20)28-10-18-8-9-19(11-27-18)38(3,36)37/h8-9,11-13,15-17H,4-7,10H2,1-3H3,(H,28,32)/t15-/m0/s1

HIDE SMILES / InChI

Molecular Formula C26H28N8O3S
Molecular Weight 532.617
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 Dec 16 13:38:58 GMT 2023
Edited
by admin
on Sat Dec 16 13:38:58 GMT 2023
Record UNII
1874HVK11I
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
BEVUROGANT
INN  
Official Name English
bevurogant [INN]
Common Name English
7(8H)-PTERIDINONE, 8-((1S)-1-CYCLOPROPYLETHYL)-2-(4-CYCLOPROPYL-6-METHYL-5-PYRIMIDINYL)-6-(((5-(METHYLSULFONYL)-2-PYRIDINYL)METHYL)AMINO)-
Systematic Name English
Code System Code Type Description
SMS_ID
300000039077
Created by admin on Sat Dec 16 13:38:58 GMT 2023 , Edited by admin on Sat Dec 16 13:38:58 GMT 2023
PRIMARY
PUBCHEM
118440466
Created by admin on Sat Dec 16 13:38:58 GMT 2023 , Edited by admin on Sat Dec 16 13:38:58 GMT 2023
PRIMARY
FDA UNII
1874HVK11I
Created by admin on Sat Dec 16 13:38:58 GMT 2023 , Edited by admin on Sat Dec 16 13:38:58 GMT 2023
PRIMARY
INN
11728
Created by admin on Sat Dec 16 13:38:58 GMT 2023 , Edited by admin on Sat Dec 16 13:38:58 GMT 2023
PRIMARY
NCI_THESAURUS
C184901
Created by admin on Sat Dec 16 13:38:58 GMT 2023 , Edited by admin on Sat Dec 16 13:38:58 GMT 2023
PRIMARY
CAS
1817773-66-2
Created by admin on Sat Dec 16 13:38:58 GMT 2023 , Edited by admin on Sat Dec 16 13:38:58 GMT 2023
PRIMARY
Related Record Type Details
TARGET -> INHIBITOR
BINDING
Kd
Related Record Type Details
ACTIVE MOIETY