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Summary Geometry Related PDB entries

P2R

Summary

Name:	N-[(2-aminoquinolin-7-yl)methyl]-9-(2-hydroxyethyl)-2,3,4,9-tetrahydro-1H-carbazole-6-carboxamide
Formula:	C25 H26 N4 O2
Formal charge:	0
Formula weight:	414.5 Da
Component type:	non-polymer

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	N-[(2-aminoquinolin-7-yl)methyl]-9-(2-hydroxyethyl)-2,3,4,9-tetrahydro-1H-carbazole-6-carboxamide
OpenEye OEToolkits	2.0.7	~{N}-[(2-azanylquinolin-7-yl)methyl]-9-(2-hydroxyethyl)-5,6,7,8-tetrahydrocarbazole-3-carboxamide

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	Nc1nc2cc(ccc2cc1)CNC(=O)c1cc2c(cc1)n(CCO)c1CCCCc21
InChI	InChI	1.03	InChI=1S/C25H26N4O2/c26-24-10-8-17-6-5-16(13-21(17)28-24)15-27-25(31)18-7-9-23-20(14-18)19-3-1-2-4-22(19)29(23)11-12-30/h5-10,13-14,30H,1-4,11-12,15H2,(H2,26,28)(H,27,31)
InChIKey	InChI	1.03	KDIMVKXBQNTHIJ-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	Nc1ccc2ccc(CNC(=O)c3ccc4n(CCO)c5CCCCc5c4c3)cc2n1
SMILES	CACTVS	3.385	Nc1ccc2ccc(CNC(=O)c3ccc4n(CCO)c5CCCCc5c4c3)cc2n1
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	c1cc(cc2c1ccc(n2)N)CNC(=O)c3ccc4c(c3)c5c(n4CCO)CCCC5
SMILES	OpenEye OEToolkits	2.0.7	c1cc(cc2c1ccc(n2)N)CNC(=O)c3ccc4c(c3)c5c(n4CCO)CCCC5

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