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Summary Geometry Related PDB entries

2RN

Summary

Name:	3-[2-phenyl-4-(pyridin-4-yl)-1H-imidazol-5-yl]phenol
Formula:	C20 H15 N3 O
Formal charge:	0
Formula weight:	313.353 Da
Component type:	NON-POLYMER

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	3-[2-phenyl-4-(pyridin-4-yl)-1H-imidazol-5-yl]phenol
OpenEye OEToolkits	1.7.6	3-(2-phenyl-4-pyridin-4-yl-1H-imidazol-5-yl)phenol

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	n2c(c(c1cccc(O)c1)nc2c3ccccc3)c4ccncc4
InChI	InChI	1.03	InChI=1S/C20H15N3O/c24-17-8-4-7-16(13-17)19-18(14-9-11-21-12-10-14)22-20(23-19)15-5-2-1-3-6-15/h1-13,24H,(H,22,23)
InChIKey	InChI	1.03	KPDQHNUZQHJLSJ-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	Oc1cccc(c1)c2[nH]c(nc2c3ccncc3)c4ccccc4
SMILES	CACTVS	3.385	Oc1cccc(c1)c2[nH]c(nc2c3ccncc3)c4ccccc4
SMILES_CANONICAL	OpenEye OEToolkits	1.7.6	c1ccc(cc1)c2[nH]c(c(n2)c3ccncc3)c4cccc(c4)O
SMILES	OpenEye OEToolkits	1.7.6	c1ccc(cc1)c2[nH]c(c(n2)c3ccncc3)c4cccc(c4)O

220113

PDB entries from 2024-05-22

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