Loading
PDBj
English日本語简体中文繁體中文한국어
✖
MenuPDBj@FacebookPDBj@TwitterPDBj@YouTubewwPDB FoundationwwPDB
RCSB PDBPDBeBMRBAdv. SearchSearch help
SummaryGeometryRelated PDB entries

BD4

Summary
Name:6-(3-AMINOPROPYL)-4,9-DIMETHYLPYRROLO[3,4-C]CARBAZOLE-1,3(2H,6H)-DIONE
Formula:C19 H19 N3 O2
Formal charge:0
Formula weight:321.373 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.046-(3-aminopropyl)-4,9-dimethylpyrrolo[3,4-c]carbazole-1,3(2H,6H)-dione
OpenEye OEToolkits1.5.06-(3-aminopropyl)-4,9-dimethyl-pyrrolo[3,4-c]carbazole-1,3-dione

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04O=C4c3c2c1cc(ccc1n(c2cc(c3C(=O)N4)C)CCCN)C
SMILES_CANONICALCACTVS3.341Cc1ccc2n(CCCN)c3cc(C)c4C(=O)NC(=O)c4c3c2c1
SMILESCACTVS3.341Cc1ccc2n(CCCN)c3cc(C)c4C(=O)NC(=O)c4c3c2c1
SMILES_CANONICALOpenEye OEToolkits1.5.0Cc1ccc2c(c1)c3c(n2CCCN)cc(c4c3C(=O)NC4=O)C
SMILESOpenEye OEToolkits1.5.0Cc1ccc2c(c1)c3c(n2CCCN)cc(c4c3C(=O)NC4=O)C
InChIInChI1.03InChI=1S/C19H19N3O2/c1-10-4-5-13-12(8-10)16-14(22(13)7-3-6-20)9-11(2)15-17(16)19(24)21-18(15)23/h4-5,8-9H,3,6-7,20H2,1-2H3,(H,21,23,24)
InChIKeyInChI1.03PKPNSCZPIWCHMW-UHFFFAOYSA-N

224572

PDB entries from 2024-09-04

PDB statisticsPDBj update infoContact PDBjnumon