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Summary Geometry Related PDB entries

A1A3K

Summary

Name:	(3P)-3-(4-chloro-1H-imidazol-2-yl)-5-[(1R)-1-{[(3M)-3-(1H-pyrazol-5-yl)phenyl]oxy}ethyl]pyridine
Formula:	C19 H16 Cl N5 O
Formal charge:	0
Formula weight:	365.816 Da
Component type:	non-polymer

Chemical Identifiers

Program	Version	Name
ACDLabs	14.52	(3P)-3-(4-chloro-1H-imidazol-2-yl)-5-[(1R)-1-{[(3M)-3-(1H-pyrazol-5-yl)phenyl]oxy}ethyl]pyridine
OpenEye OEToolkits	2.0.7	3-(4-chloranyl-1~{H}-imidazol-2-yl)-5-[(1~{R})-1-[3-(1~{H}-pyrazol-5-yl)phenoxy]ethyl]pyridine

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	14.52	Clc1nc([NH]c1)c1cc(cnc1)C(C)Oc1cccc(c1)c1ccn[NH]1
InChI	InChI	1.06	InChI=1S/C19H16ClN5O/c1-12(14-7-15(10-21-9-14)19-22-11-18(20)24-19)26-16-4-2-3-13(8-16)17-5-6-23-25-17/h2-12H,1H3,(H,22,24)(H,23,25)/t12-/m1/s1
InChIKey	InChI	1.06	FKQIJOHOBMULLA-GFCCVEGCSA-N
SMILES_CANONICAL	CACTVS	3.385	C[C@@H](Oc1cccc(c1)c2[nH]ncc2)c3cncc(c3)c4[nH]cc(Cl)n4
SMILES	CACTVS	3.385	C[CH](Oc1cccc(c1)c2[nH]ncc2)c3cncc(c3)c4[nH]cc(Cl)n4
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	C[C@H](c1cc(cnc1)c2[nH]cc(n2)Cl)Oc3cccc(c3)c4ccn[nH]4
SMILES	OpenEye OEToolkits	2.0.7	CC(c1cc(cnc1)c2[nH]cc(n2)Cl)Oc3cccc(c3)c4ccn[nH]4

247035

PDB entries from 2026-01-07

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