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Summary Geometry Related PDB entries

5YO

Summary

Name:	4-(3-fluoranylpyridin-4-yl)-~{N}-[(1~{R})-1-(3-methoxyphenyl)ethyl]piperazine-1-carboxamide
Formula:	C19 H23 F N4 O2
Formal charge:	0
Formula weight:	358.41 Da
Component type:	non-polymer

Chemical Identifiers

Program	Version	Name
OpenEye OEToolkits	2.0.7	4-(3-fluoranylpyridin-4-yl)-~{N}-[(1~{R})-1-(3-methoxyphenyl)ethyl]piperazine-1-carboxamide

Chemical Descriptors

Type	Program	Version	Descriptor
InChI	InChI	1.03	InChI=1S/C19H23FN4O2/c1-14(15-4-3-5-16(12-15)26-2)22-19(25)24-10-8-23(9-11-24)18-6-7-21-13-17(18)20/h3-7,12-14H,8-11H2,1-2H3,(H,22,25)/t14-/m1/s1
InChIKey	InChI	1.03	RLYKEFWBHJQJPK-CQSZACIVSA-N
SMILES_CANONICAL	CACTVS	3.385	COc1cccc(c1)[C@@H](C)NC(=O)N2CCN(CC2)c3ccncc3F
SMILES	CACTVS	3.385	COc1cccc(c1)[CH](C)NC(=O)N2CCN(CC2)c3ccncc3F
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	C[C@H](c1cccc(c1)OC)NC(=O)N2CCN(CC2)c3ccncc3F
SMILES	OpenEye OEToolkits	2.0.7	CC(c1cccc(c1)OC)NC(=O)N2CCN(CC2)c3ccncc3F

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