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Summary Geometry Related PDB entries

EYI

Summary

Name:	4-[3-cyclohexyl-5-(4-fluorophenyl)imidazol-4-yl]-1~{H}-pyrrolo[2,3-b]pyridine
Formula:	C22 H21 F N4
Formal charge:	0
Formula weight:	360.427 Da
Component type:	non-polymer

Chemical Identifiers

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

Chemical Descriptors

Type	Program	Version	Descriptor
InChI	InChI	1.06	InChI=1S/C22H21FN4/c23-16-8-6-15(7-9-16)20-21(18-10-12-24-22-19(18)11-13-25-22)27(14-26-20)17-4-2-1-3-5-17/h6-14,17H,1-5H2,(H,24,25)
InChIKey	InChI	1.06	CPDVWRAEVIUDHW-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	Fc1ccc(cc1)c2ncn(C3CCCCC3)c2c4ccnc5[nH]ccc45
SMILES	CACTVS	3.385	Fc1ccc(cc1)c2ncn(C3CCCCC3)c2c4ccnc5[nH]ccc45
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	c1cc(ccc1c2c(n(cn2)C3CCCCC3)c4ccnc5c4cc[nH]5)F
SMILES	OpenEye OEToolkits	2.0.7	c1cc(ccc1c2c(n(cn2)C3CCCCC3)c4ccnc5c4cc[nH]5)F

223532

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