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Summary Geometry Related PDB entries

6ZI

Summary

Name:	3-[4-(6-cyclopropylpyridin-3-yl)phenyl]-N-(4-fluorophenyl)oxetane-3-carboxamide
Formula:	C24 H21 F N2 O2
Formal charge:	0
Formula weight:	388.434 Da
Component type:	non-polymer

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	3-[4-(6-cyclopropylpyridin-3-yl)phenyl]-N-(4-fluorophenyl)oxetane-3-carboxamide
OpenEye OEToolkits	2.0.7	3-[4-(6-cyclopropylpyridin-3-yl)phenyl]-~{N}-(4-fluorophenyl)oxetane-3-carboxamide

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C(Nc1ccc(F)cc1)C1(COC1)c1ccc(cc1)c1ccc(nc1)C1CC1
InChI	InChI	1.03	InChI=1S/C24H21FN2O2/c25-20-8-10-21(11-9-20)27-23(28)24(14-29-15-24)19-6-3-16(4-7-19)18-5-12-22(26-13-18)17-1-2-17/h3-13,17H,1-2,14-15H2,(H,27,28)
InChIKey	InChI	1.03	DJWKVSDUOMVCDV-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	Fc1ccc(NC(=O)C2(COC2)c3ccc(cc3)c4ccc(nc4)C5CC5)cc1
SMILES	CACTVS	3.385	Fc1ccc(NC(=O)C2(COC2)c3ccc(cc3)c4ccc(nc4)C5CC5)cc1
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	c1cc(ccc1c2ccc(nc2)C3CC3)C4(COC4)C(=O)Nc5ccc(cc5)F
SMILES	OpenEye OEToolkits	2.0.7	c1cc(ccc1c2ccc(nc2)C3CC3)C4(COC4)C(=O)Nc5ccc(cc5)F

222415

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