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Summary Geometry Related PDB entries

1EO

Summary

Name:	(1s,4s)-4-[8-(2-fluorophenoxy)[1,2,4]triazolo[4,3-a]pyridin-3-yl]bicyclo[2.2.1]heptan-1-ol
Formula:	C19 H18 F N3 O2
Formal charge:	0
Formula weight:	339.364 Da
Component type:	NON-POLYMER

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	(1s,4s)-4-[8-(2-fluorophenoxy)[1,2,4]triazolo[4,3-a]pyridin-3-yl]bicyclo[2.2.1]heptan-1-ol
OpenEye OEToolkits	1.7.6	1-[8-(2-fluoranylphenoxy)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]bicyclo[2.2.1]heptan-4-ol

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	Fc5ccccc5Oc4cccn1c4nnc1C23CCC(O)(CC2)C3
InChI	InChI	1.03	InChI=1S/C19H18FN3O2/c20-13-4-1-2-5-14(13)25-15-6-3-11-23-16(15)21-22-17(23)18-7-9-19(24,12-18)10-8-18/h1-6,11,24H,7-10,12H2/t18-,19+
InChIKey	InChI	1.03	WEOITARZWXYXSX-KDURUIRLSA-N
SMILES_CANONICAL	CACTVS	3.370	OC12CCC(CC1)(C2)c3nnc4n3cccc4Oc5ccccc5F
SMILES	CACTVS	3.370	OC12CCC(CC1)(C2)c3nnc4n3cccc4Oc5ccccc5F
SMILES_CANONICAL	OpenEye OEToolkits	1.7.6	c1ccc(c(c1)Oc2cccn3c2nnc3C45CCC(C4)(CC5)O)F
SMILES	OpenEye OEToolkits	1.7.6	c1ccc(c(c1)Oc2cccn3c2nnc3C45CCC(C4)(CC5)O)F

232418

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