940699

Source:http://linkedlifedata.com/resource/chembl/compound/940699

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Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:standardIn...	InChI=1S/C16H16FN5OS/c1-9-7-13(14(23)8-24-16-19-15(18)20-21-16)10(2)22(9)12-5-3-11(17)4-6-12/h3-7H,8H2,1-2H3,(H3,18,19,20,21)
chemicalCompound:standardIn...	VNMJOLYMTCYMBS-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Cc1cc(C(=O)CSc2n[nH]c(N)n2)c(C)n1c3ccc(F)cc3
chemicalCompound:molecularF...	C16H16FN5OS
chemicalCompound:moleculeId	940699
chemicalCompound:mwFreebase	345.395
chemicalCompound:alogp	3.076
chemicalCompound:hba	5
chemicalCompound:hbd	2
chemicalCompound:psa	114.89
chemicalCompound:rtb	5
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	10.213
chemicalCompound:acdLogP	2.1
chemicalCompound:acdLogD	2.099
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	345.395
chemicalCompound:acdMostBpk...	2.924
chemicalCompound:chemblId	CHEMBL1516815
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:1040699
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:3621572, activity:3802475, activity:3835928, activity:4744067, activity:4998860, activity:5375121, activity:5405446, activity:5554759, activity:5702394, activity:5811572, activity:5891289, activity:6563482, activity:7166092, activity:7373732, activity:7512633