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

Details

Stereochemistry ACHIRAL
Molecular Formula C36H37N7O4
Molecular Weight 631.7235
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of MGB-BP-3

SMILES

CN1C=C(NC(=O)C2=CC(NC(=O)C3=CC=C(\C=C\C4=CC5=C(C=CC=C5)N=C4)C=C3)=CN2C)C=C1C(=O)NCCN6CCOCC6

InChI

InChIKey=OEKXCVYZBVOWBR-BQYQJAHWSA-N
InChI=1S/C36H37N7O4/c1-41-24-30(20-32(41)35(45)37-13-14-43-15-17-47-18-16-43)40-36(46)33-21-29(23-42(33)2)39-34(44)27-11-9-25(10-12-27)7-8-26-19-28-5-3-4-6-31(28)38-22-26/h3-12,19-24H,13-18H2,1-2H3,(H,37,45)(H,39,44)(H,40,46)/b8-7+

HIDE SMILES / InChI

Molecular Formula C36H37N7O4
Molecular Weight 631.7235
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 1
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 11:10:57 UTC 2023
Edited
by admin
on Sat Dec 16 11:10:57 UTC 2023
Record UNII
532PWU9738
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
MGB-BP-3
Code English
MGB-BP3
Common Name English
J2.725.402K
Code English
4-((4-(4-((E)-2-(3-QUINOLYL)VINYL)BENZOYLAMINO)-1-METHYL-1H-PYRROLE-2-YL)CARBONYLAMINO)-1-METHYL-N-(2-MORPHOLINOETHYL)-1H-PYRROLE-2-CARBOXAMIDE
Systematic Name English
1H-PYRROLE-2-CARBOXAMIDE, 1-METHYL-N-(1-METHYL-5-(((2-(4-MORPHOLINYL)ETHYL)AMINO)CARBONYL)-1H-PYRROL-3-YL)-4-((4-((1E)-2-(3-QUINOLINYL)ETHENYL)BENZOYL)AMINO)-
Systematic Name English
Code System Code Type Description
CAS
1000277-08-6
Created by admin on Sat Dec 16 11:10:57 UTC 2023 , Edited by admin on Sat Dec 16 11:10:57 UTC 2023
PRIMARY
PUBCHEM
23730143
Created by admin on Sat Dec 16 11:10:57 UTC 2023 , Edited by admin on Sat Dec 16 11:10:57 UTC 2023
PRIMARY
DRUG BANK
DB12892
Created by admin on Sat Dec 16 11:10:57 UTC 2023 , Edited by admin on Sat Dec 16 11:10:57 UTC 2023
PRIMARY
FDA UNII
532PWU9738
Created by admin on Sat Dec 16 11:10:57 UTC 2023 , Edited by admin on Sat Dec 16 11:10:57 UTC 2023
PRIMARY
Related Record Type Details
ACTIVE MOIETY