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Summary Geometry Related PDB entries

6HH

Summary

Name:	1-{4-[6-amino-5-(4-chlorophenyl)pyridin-3-yl]phenyl}cyclopentane-1-carboxylic acid
Formula:	C23 H21 Cl N2 O2
Formal charge:	0
Formula weight:	392.878 Da
Component type:	NON-POLYMER

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	1-{4-[6-amino-5-(4-chlorophenyl)pyridin-3-yl]phenyl}cyclopentane-1-carboxylic acid
OpenEye OEToolkits	2.0.4	1-[4-[6-azanyl-5-(4-chlorophenyl)pyridin-3-yl]phenyl]cyclopentane-1-carboxylic acid

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	c4c(C1(CCCC1)C(=O)O)ccc(c2cc(c(N)nc2)c3ccc(cc3)Cl)c4
InChI	InChI	1.03	InChI=1S/C23H21ClN2O2/c24-19-9-5-16(6-10-19)20-13-17(14-26-21(20)25)15-3-7-18(8-4-15)23(22(27)28)11-1-2-12-23/h3-10,13-14H,1-2,11-12H2,(H2,25,26)(H,27,28)
InChIKey	InChI	1.03	VHQILBJBMFWZGW-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	Nc1ncc(cc1c2ccc(Cl)cc2)c3ccc(cc3)C4(CCCC4)C(O)=O
SMILES	CACTVS	3.385	Nc1ncc(cc1c2ccc(Cl)cc2)c3ccc(cc3)C4(CCCC4)C(O)=O
SMILES_CANONICAL	OpenEye OEToolkits	2.0.4	c1cc(ccc1c2cc(c(nc2)N)c3ccc(cc3)Cl)C4(CCCC4)C(=O)O
SMILES	OpenEye OEToolkits	2.0.4	c1cc(ccc1c2cc(c(nc2)N)c3ccc(cc3)Cl)C4(CCCC4)C(=O)O

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