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Summary Geometry Related PDB entries

EZQ

Summary

Name:	4-[5-(4-fluorophenyl)-3-(pyridin-4-ylmethyl)imidazol-4-yl]-1~{H}-pyrrolo[2,3-b]pyridine
Formula:	C22 H16 F N5
Formal charge:	0
Formula weight:	369.394 Da
Component type:	non-polymer

Chemical Identifiers

Program	Version	Name
OpenEye OEToolkits	2.0.7	4-[5-(4-fluorophenyl)-3-(pyridin-4-ylmethyl)imidazol-4-yl]-1~{H}-pyrrolo[2,3-b]pyridine

Chemical Descriptors

Type	Program	Version	Descriptor
InChI	InChI	1.06	InChI=1S/C22H16FN5/c23-17-3-1-16(2-4-17)20-21(18-7-11-25-22-19(18)8-12-26-22)28(14-27-20)13-15-5-9-24-10-6-15/h1-12,14H,13H2,(H,25,26)
InChIKey	InChI	1.06	RJSIBZBOEOZVIR-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	Fc1ccc(cc1)c2ncn(Cc3ccncc3)c2c4ccnc5[nH]ccc45
SMILES	CACTVS	3.385	Fc1ccc(cc1)c2ncn(Cc3ccncc3)c2c4ccnc5[nH]ccc45
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	c1cc(ccc1c2c(n(cn2)Cc3ccncc3)c4ccnc5c4cc[nH]5)F
SMILES	OpenEye OEToolkits	2.0.7	c1cc(ccc1c2c(n(cn2)Cc3ccncc3)c4ccnc5c4cc[nH]5)F

223532

数据于2024-08-07公开中

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