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Summary Geometry Related PDB entries

K7C

Summary

Name:	(5P)-2-cyclopentyl-4-(4-fluorophenyl)-6-[1-(methoxymethyl)cyclopentyl]-3-methyl-5-(1H-tetrazol-5-yl)pyridine
Formula:	C25 H30 F N5 O
Formal charge:	0
Formula weight:	435.537 Da
Component type:	non-polymer

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	(5P)-2-cyclopentyl-4-(4-fluorophenyl)-6-[1-(methoxymethyl)cyclopentyl]-3-methyl-5-(1H-tetrazol-5-yl)pyridine
OpenEye OEToolkits	2.0.7	2-cyclopentyl-4-(4-fluorophenyl)-6-[1-(methoxymethyl)cyclopentyl]-3-methyl-5-(1~{H}-1,2,3,4-tetrazol-5-yl)pyridine

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	Fc1ccc(cc1)c1c(c(nc(C2CCCC2)c1C)C1(COC)CCCC1)c1nnn[NH]1
InChI	InChI	1.06	InChI=1S/C25H30FN5O/c1-16-20(17-9-11-19(26)12-10-17)21(24-28-30-31-29-24)23(25(15-32-2)13-5-6-14-25)27-22(16)18-7-3-4-8-18/h9-12,18H,3-8,13-15H2,1-2H3,(H,28,29,30,31)
InChIKey	InChI	1.06	LIYRSWZUQWQZTJ-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	COCC1(CCCC1)c2nc(C3CCCC3)c(C)c(c4ccc(F)cc4)c2c5[nH]nnn5
SMILES	CACTVS	3.385	COCC1(CCCC1)c2nc(C3CCCC3)c(C)c(c4ccc(F)cc4)c2c5[nH]nnn5
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	Cc1c(c(c(nc1C2CCCC2)C3(CCCC3)COC)c4[nH]nnn4)c5ccc(cc5)F
SMILES	OpenEye OEToolkits	2.0.7	Cc1c(c(c(nc1C2CCCC2)C3(CCCC3)COC)c4[nH]nnn4)c5ccc(cc5)F

224931

数据于2024-09-11公开中

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