396139

Source:http://linkedlifedata.com/resource/chembl/compound/396139

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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/C29H26F3N5S/c30-29(31,32)23-10-11-27-25(18-23)37(24-4-1-2-5-26(24)38-27)20-22-8-6-21(7-9-22)19-35-14-16-36(17-15-35)28-33-12-3-13-34-28/h1-13,18H,14-17,19-20H2
chemicalCompound:standardIn...	AGFDEJVDCUGXTG-UHFFFAOYSA-N
chemicalCompound:canonicalS...	FC(F)(F)c1ccc2Sc3ccccc3N(Cc4ccc(CN5CCN(CC5)c6ncccn6)cc4)c2c1
chemicalCompound:molecularF...	C29 H26 F3 N5 S
chemicalCompound:moleculeId	396139
chemicalCompound:mwFreebase	533.61
chemicalCompound:alogp	6.225
chemicalCompound:hba	6
chemicalCompound:hbd	0
chemicalCompound:psa	60.8
chemicalCompound:rtb	6
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	2
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	6.105
chemicalCompound:acdLogD	6.087
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	533.61
chemicalCompound:acdMostBpk...	6.051
chemicalCompound:chemblId	CHEMBL232206
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:496139
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:1962679, activity:1962716, activity:1962753, activity:1962790, activity:1962827, activity:1962865, activity:1962902