396123

Source:http://linkedlifedata.com/resource/chembl/compound/396123

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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/C19H16F3N3S2/c20-19(21,22)13-6-7-17-15(12-13)25(14-4-1-2-5-16(14)27-17)10-3-8-23-18-24-9-11-26-18/h1-2,4-7,9,11-12H,3,8,10H2,(H,23,24)
chemicalCompound:standardIn...	MCSJJQKMSZVSSG-UHFFFAOYSA-N
chemicalCompound:canonicalS...	FC(F)(F)c1ccc2Sc3ccccc3N(CCCNc4nccs4)c2c1
chemicalCompound:molecularF...	C19 H16 F3 N3 S2
chemicalCompound:moleculeId	396123
chemicalCompound:mwFreebase	407.476
chemicalCompound:alogp	4.861
chemicalCompound:hba	4
chemicalCompound:hbd	1
chemicalCompound:psa	81.7
chemicalCompound:rtb	6
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	6.155
chemicalCompound:acdLogD	6.154
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	407.476
chemicalCompound:acdMostBpk...	4.507
chemicalCompound:chemblId	CHEMBL393379
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:496123
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:1962694, activity:1962731, activity:1962768, activity:1962805, activity:1962842, activity:1962880, activity:1962917