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Summary Geometry Related PDB entries

288

Summary

Name:	5-CHLORO-1H-INDOLE-2-CARBOXYLIC ACID{[CYCLOPENTYL-(2-HYDROXY-ETHYL)-CARBAMOYL]-METHYL}-AMIDE
Formula:	C18 H24 Cl N3 O3
Formal charge:	0
Formula weight:	365.854 Da
Component type:	NON-POLYMER

Chemical Identifiers

Program	Version	Name
ACDLabs	10.04	5-chloro-N-{(2R)-2-[cyclopentyl(2-hydroxyethyl)amino]-2-hydroxyethyl}-1H-indole-2-carboxamide
OpenEye OEToolkits	1.5.0	5-chloro-N-[2-(cyclopentyl-(2-hydroxyethyl)amino)-2-hydroxy-ethyl]-1H-indole-2-carboxamide

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	Clc1cc2c(cc1)nc(c2)C(=O)NCC(O)N(C3CCCC3)CCO
SMILES_CANONICAL	CACTVS	3.341	OCCN([C@H](O)CNC(=O)c1[nH]c2ccc(Cl)cc2c1)C3CCCC3
SMILES	CACTVS	3.341	OCCN([CH](O)CNC(=O)c1[nH]c2ccc(Cl)cc2c1)C3CCCC3
SMILES_CANONICAL	OpenEye OEToolkits	1.5.0	c1cc2c(cc1Cl)cc([nH]2)C(=O)NCC(N(CCO)C3CCCC3)O
SMILES	OpenEye OEToolkits	1.5.0	c1cc2c(cc1Cl)cc([nH]2)C(=O)NCC(N(CCO)C3CCCC3)O
InChI	InChI	1.03	InChI=1S/C18H24ClN3O3/c19-13-5-6-15-12(9-13)10-16(21-15)18(25)20-11-17(24)22(7-8-23)14-3-1-2-4-14/h5-6,9-10,14,17,21,23-24H,1-4,7-8,11H2,(H,20,25)/t17-/m1/s1
InChIKey	InChI	1.03	VXABTOCIIZSEPD-QGZVFWFLSA-N

248636

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