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Summary Geometry Related PDB entries

Q1I

Summary

Name:	(3P)-6-cyclopentyl-N,5-dimethyl-4-phenyl-N-(propan-2-yl)-3-(1H-tetrazol-5-yl)pyridin-2-amine
Formula:	C22 H28 N6
Formal charge:	0
Formula weight:	376.498 Da
Component type:	non-polymer

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	(3P)-6-cyclopentyl-N,5-dimethyl-4-phenyl-N-(propan-2-yl)-3-(1H-tetrazol-5-yl)pyridin-2-amine
OpenEye OEToolkits	2.0.7	6-cyclopentyl-~{N},5-dimethyl-4-phenyl-~{N}-propan-2-yl-3-(1~{H}-1,2,3,4-tetrazol-5-yl)pyridin-2-amine

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	CC(C)N(C)c1nc(C2CCCC2)c(C)c(c1c1nnn[NH]1)c1ccccc1
InChI	InChI	1.06	InChI=1S/C22H28N6/c1-14(2)28(4)22-19(21-24-26-27-25-21)18(16-10-6-5-7-11-16)15(3)20(23-22)17-12-8-9-13-17/h5-7,10-11,14,17H,8-9,12-13H2,1-4H3,(H,24,25,26,27)
InChIKey	InChI	1.06	MCQOBJKNIOQORB-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	CC(C)N(C)c1nc(C2CCCC2)c(C)c(c3ccccc3)c1c4[nH]nnn4
SMILES	CACTVS	3.385	CC(C)N(C)c1nc(C2CCCC2)c(C)c(c3ccccc3)c1c4[nH]nnn4
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	Cc1c(c(c(nc1C2CCCC2)N(C)C(C)C)c3[nH]nnn3)c4ccccc4
SMILES	OpenEye OEToolkits	2.0.7	Cc1c(c(c(nc1C2CCCC2)N(C)C(C)C)c3[nH]nnn3)c4ccccc4

223532

PDB entries from 2024-08-07

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