English 日本語简体中文繁體中文 한국어

✖

Menu

RCSB PDB PDBe BMRB Adv. Search Search help

Summary Geometry Related 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

Program	Version	Name
ACDLabs	10.04	6-(3-aminopropyl)-4,9-dimethylpyrrolo[3,4-c]carbazole-1,3(2H,6H)-dione
OpenEye OEToolkits	1.5.0	6-(3-aminopropyl)-4,9-dimethyl-pyrrolo[3,4-c]carbazole-1,3-dione

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=C4c3c2c1cc(ccc1n(c2cc(c3C(=O)N4)C)CCCN)C
SMILES_CANONICAL	CACTVS	3.341	Cc1ccc2n(CCCN)c3cc(C)c4C(=O)NC(=O)c4c3c2c1
SMILES	CACTVS	3.341	Cc1ccc2n(CCCN)c3cc(C)c4C(=O)NC(=O)c4c3c2c1
SMILES_CANONICAL	OpenEye OEToolkits	1.5.0	Cc1ccc2c(c1)c3c(n2CCCN)cc(c4c3C(=O)NC4=O)C
SMILES	OpenEye OEToolkits	1.5.0	Cc1ccc2c(c1)c3c(n2CCCN)cc(c4c3C(=O)NC4=O)C
InChI	InChI	1.03	InChI=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)
InChIKey	InChI	1.03	PKPNSCZPIWCHMW-UHFFFAOYSA-N

227344

數據於2024-11-13公開中

PDB statistics

PDBj update info

Contact PDBj

numon