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Summary Geometry Related PDB entries

IWP

Summary

Name:	5-fluoro-2-{1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)-1H-pyrazol-3-yl}pyrimidin-4-ol
Formula:	C17 H11 F2 N5 O2
Formal charge:	0
Formula weight:	355.298 Da
Component type:	non-polymer

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	5-fluoro-2-{1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)-1H-pyrazol-3-yl}pyrimidin-4-ol
OpenEye OEToolkits	2.0.7	5-fluoranyl-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-ol

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	c1ccc(c(c1)Cn2c(cc(n2)c3ncc(c(n3)O)F)c4ccon4)F
InChI	InChI	1.03	InChI=1S/C17H11F2N5O2/c18-11-4-2-1-3-10(11)9-24-15(13-5-6-26-23-13)7-14(22-24)16-20-8-12(19)17(25)21-16/h1-8H,9H2,(H,20,21,25)
InChIKey	InChI	1.03	LIVYVCAUBHXIMI-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	Oc1nc(ncc1F)c2cc(n(Cc3ccccc3F)n2)c4ccon4
SMILES	CACTVS	3.385	Oc1nc(ncc1F)c2cc(n(Cc3ccccc3F)n2)c4ccon4
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	c1ccc(c(c1)Cn2c(cc(n2)c3ncc(c(n3)O)F)c4ccon4)F
SMILES	OpenEye OEToolkits	2.0.7	c1ccc(c(c1)Cn2c(cc(n2)c3ncc(c(n3)O)F)c4ccon4)F

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数据于2024-07-17公开中

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