80903

Source:http://linkedlifedata.com/resource/chembl/compound/80903

Download in:

Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:standardIn...	InChI=1S/C17H15ClFNO/c1-2-17(21)15-10-20(13-6-4-12(19)5-7-13)16-8-3-11(18)9-14(15)16/h3-10,17,21H,2H2,1H3
chemicalCompound:standardIn...	PZFVISYBXMCPDS-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CCC(O)c1cn(c2ccc(F)cc2)c3ccc(Cl)cc13
chemicalCompound:molecularF...	C17 H15 Cl F N O
chemicalCompound:moleculeId	80903
chemicalCompound:mwFreebase	303.759
chemicalCompound:alogp	5.072
chemicalCompound:hba	1
chemicalCompound:hbd	1
chemicalCompound:psa	25.16
chemicalCompound:rtb	3
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	3.65
chemicalCompound:acdLogD	3.65
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	303.759
chemicalCompound:chemblId	CHEMBL53866
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:180903
chemicalCompound:moleculeTy...	moleculeType:Small molecule
chemicalCompound:oral	No
chemicalCompound:parenteral	No
chemicalCompound:topical	No
chemicalCompound:blackBoxWa...	No
chemicalCompound:naturalPro...	No
chemicalCompound:proDrug	No
chemicalCompound:activity	activity:767710, activity:5219035