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Summary

Name:	2-{3-chloro-5-[4-(furan-2-carbonyl)piperazin-1-yl]phenyl}-N-(isoquinolin-4-yl)acetamide
Formula:	C26 H23 Cl N4 O3
Formal charge:	0
Formula weight:	474.939 Da
Component type:	non-polymer

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	2-{3-chloro-5-[4-(furan-2-carbonyl)piperazin-1-yl]phenyl}-N-(isoquinolin-4-yl)acetamide
OpenEye OEToolkits	2.0.7	2-[3-chloranyl-5-[4-(furan-2-ylcarbonyl)piperazin-1-yl]phenyl]-~{N}-isoquinolin-4-yl-ethanamide

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C(N1CCN(CC1)c1cc(CC(=O)Nc2cncc3ccccc32)cc(Cl)c1)c1ccco1
InChI	InChI	1.06	InChI=1S/C26H23ClN4O3/c27-20-12-18(14-25(32)29-23-17-28-16-19-4-1-2-5-22(19)23)13-21(15-20)30-7-9-31(10-8-30)26(33)24-6-3-11-34-24/h1-6,11-13,15-17H,7-10,14H2,(H,29,32)
InChIKey	InChI	1.06	KIVBNAMDYXZGMT-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	Clc1cc(CC(=O)Nc2cncc3ccccc23)cc(c1)N4CCN(CC4)C(=O)c5occc5
SMILES	CACTVS	3.385	Clc1cc(CC(=O)Nc2cncc3ccccc23)cc(c1)N4CCN(CC4)C(=O)c5occc5
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	c1ccc2c(c1)cncc2NC(=O)Cc3cc(cc(c3)Cl)N4CCN(CC4)C(=O)c5ccco5
SMILES	OpenEye OEToolkits	2.0.7	c1ccc2c(c1)cncc2NC(=O)Cc3cc(cc(c3)Cl)N4CCN(CC4)C(=O)c5ccco5

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