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Summary Geometry Related PDB entries

O9U

Summary

Name:	1-[(5-chloro[1,1'-biphenyl]-2-yl)methyl]-4-hydroxy-5,6-dihydropyridin-2(1H)-one
Formula:	C18 H16 Cl N O2
Formal charge:	0
Formula weight:	313.778 Da
Component type:	non-polymer

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	1-[(5-chloro[1,1'-biphenyl]-2-yl)methyl]-4-hydroxy-5,6-dihydropyridin-2(1H)-one
OpenEye OEToolkits	2.0.7	1-[(4-chloranyl-2-phenyl-phenyl)methyl]-4-oxidanyl-2,3-dihydropyridin-6-one

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	Clc1ccc(CN2CCC(O)=CC2=O)c(c1)c1ccccc1
InChI	InChI	1.06	InChI=1S/C18H16ClNO2/c19-15-7-6-14(12-20-9-8-16(21)11-18(20)22)17(10-15)13-4-2-1-3-5-13/h1-7,10-11,21H,8-9,12H2
InChIKey	InChI	1.06	KDZNNGBVIZWMEE-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	OC1=CC(=O)N(CC1)Cc2ccc(Cl)cc2c3ccccc3
SMILES	CACTVS	3.385	OC1=CC(=O)N(CC1)Cc2ccc(Cl)cc2c3ccccc3
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	c1ccc(cc1)c2cc(ccc2CN3CCC(=CC3=O)O)Cl
SMILES	OpenEye OEToolkits	2.0.7	c1ccc(cc1)c2cc(ccc2CN3CCC(=CC3=O)O)Cl

222415

건을2024-07-10부터공개중

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