U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ABSOLUTE
Molecular Formula C25H33N5O3
Molecular Weight 451.5612
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of BAY-1238097

SMILES

CNC(=O)N1N=C(C2=CC=C(C=C2)N3CCN(C)CC3)C4=C(C[C@@H]1C)C=C(OC)C(OC)=C4

InChI

InChIKey=CJIPEACKIJJYED-KRWDZBQOSA-N
InChI=1S/C25H33N5O3/c1-17-14-19-15-22(32-4)23(33-5)16-21(19)24(27-30(17)25(31)26-2)18-6-8-20(9-7-18)29-12-10-28(3)11-13-29/h6-9,15-17H,10-14H2,1-5H3,(H,26,31)/t17-/m0/s1

HIDE SMILES / InChI

Molecular Formula C25H33N5O3
Molecular Weight 451.5612
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 14:32:47 GMT 2023
Edited
by admin
on Sat Dec 16 14:32:47 GMT 2023
Record UNII
M9ALI41OQR
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
BAY-1238097
Code English
(4S)-7,8-DIMETHOXY-N,4-DIMETHYL-1-(4-(4-METHYLPIPERAZIN-1-YL) PHENYL)-4,5-DIHYDRO-3H-2,3-BENZODIAZEPINE-3-CARBOXAMIDE
Systematic Name English
BAY1238097
Code English
Code System Code Type Description
SMS_ID
300000042366
Created by admin on Sat Dec 16 14:32:48 GMT 2023 , Edited by admin on Sat Dec 16 14:32:48 GMT 2023
PRIMARY
CAS
1564268-08-1
Created by admin on Sat Dec 16 14:32:48 GMT 2023 , Edited by admin on Sat Dec 16 14:32:48 GMT 2023
PRIMARY
PUBCHEM
118237331
Created by admin on Sat Dec 16 14:32:48 GMT 2023 , Edited by admin on Sat Dec 16 14:32:48 GMT 2023
PRIMARY
NCI_THESAURUS
C121213
Created by admin on Sat Dec 16 14:32:48 GMT 2023 , Edited by admin on Sat Dec 16 14:32:48 GMT 2023
PRIMARY NCIT
FDA UNII
M9ALI41OQR
Created by admin on Sat Dec 16 14:32:48 GMT 2023 , Edited by admin on Sat Dec 16 14:32:48 GMT 2023
PRIMARY
Related Record Type Details
TARGET -> INHIBITOR
Related Record Type Details
ACTIVE MOIETY