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Summary Geometry Related PDB entries

AH7

Summary

Name:	2-[(4,4-difluoro-1-phenylcyclohexyl)amino]-N-hydroxypyrimidine-5-carboxamide
Formula:	C17 H18 F2 N4 O2
Formal charge:	0
Formula weight:	348.347 Da
Component type:	NON-POLYMER

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	2-[(4,4-difluoro-1-phenylcyclohexyl)amino]-N-hydroxypyrimidine-5-carboxamide
OpenEye OEToolkits	2.0.6	2-[[4,4-bis(fluoranyl)-1-phenyl-cyclohexyl]amino]-~{N}-oxidanyl-pyrimidine-5-carboxamide

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	C2(Nc1ncc(cn1)C(NO)=O)(CCC(CC2)(F)F)c3ccccc3
InChI	InChI	1.03	InChI=1S/C17H18F2N4O2/c18-17(19)8-6-16(7-9-17,13-4-2-1-3-5-13)22-15-20-10-12(11-21-15)14(24)23-25/h1-5,10-11,25H,6-9H2,(H,23,24)(H,20,21,22)
InChIKey	InChI	1.03	MRWCVKLVSWYIFO-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	ONC(=O)c1cnc(NC2(CCC(F)(F)CC2)c3ccccc3)nc1
SMILES	CACTVS	3.385	ONC(=O)c1cnc(NC2(CCC(F)(F)CC2)c3ccccc3)nc1
SMILES_CANONICAL	OpenEye OEToolkits	2.0.6	c1ccc(cc1)C2(CCC(CC2)(F)F)Nc3ncc(cn3)C(=O)NO
SMILES	OpenEye OEToolkits	2.0.6	c1ccc(cc1)C2(CCC(CC2)(F)F)Nc3ncc(cn3)C(=O)NO

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