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Summary Geometry Related PDB entries

809

Summary

Name:	4-(2-chlorophenyl)-8-(2-hydroxyethyl)-6-methylpyrrolo[3,4-e]indole-1,3(2H,6H)-dione
Formula:	C19 H15 Cl N2 O3
Formal charge:	0
Formula weight:	354.787 Da
Component type:	NON-POLYMER

Chemical Identifiers

Program	Version	Name
ACDLabs	10.04	4-(2-chlorophenyl)-8-(2-hydroxyethyl)-6-methylpyrrolo[3,4-e]indole-1,3(2H,6H)-dione
OpenEye OEToolkits	1.5.0	4-(2-chlorophenyl)-8-(2-hydroxyethyl)-6-methyl-pyrrolo[3,4-e]indole-1,3-dione

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	Clc4ccccc4c2c1C(=O)NC(=O)c1c3c(c2)n(cc3CCO)C
SMILES_CANONICAL	CACTVS	3.341	Cn1cc(CCO)c2c1cc(c3ccccc3Cl)c4C(=O)NC(=O)c24
SMILES	CACTVS	3.341	Cn1cc(CCO)c2c1cc(c3ccccc3Cl)c4C(=O)NC(=O)c24
SMILES_CANONICAL	OpenEye OEToolkits	1.5.0	Cn1cc(c2c1cc(c3c2C(=O)NC3=O)c4ccccc4Cl)CCO
SMILES	OpenEye OEToolkits	1.5.0	Cn1cc(c2c1cc(c3c2C(=O)NC3=O)c4ccccc4Cl)CCO
InChI	InChI	1.03	InChI=1S/C19H15ClN2O3/c1-22-9-10(6-7-23)15-14(22)8-12(11-4-2-3-5-13(11)20)16-17(15)19(25)21-18(16)24/h2-5,8-9,23H,6-7H2,1H3,(H,21,24,25)
InChIKey	InChI	1.03	WHMQZCPGFZBLBG-UHFFFAOYSA-N

248636

PDB entries from 2026-02-04

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