1226854

Source:http://linkedlifedata.com/resource/chembl/compound/1226854

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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/C29H24N2O2S/c1-31-26-9-8-19(20-7-6-18-10-11-30-25(18)16-20)15-24(26)28(27-5-4-12-34-27)29(31)21-13-22(32-2)17-23(14-21)33-3/h4-17,30H,1-3H3
chemicalCompound:standardIn...	APPICPSGOKLAOX-UHFFFAOYSA-N
chemicalCompound:canonicalS...	COc1cc(OC)cc(c1)c2c(c3cccs3)c4cc(ccc4n2C)c5ccc6cc[nH]c6c5
chemicalCompound:molecularF...	C29H24N2O2S
chemicalCompound:moleculeId	1226854
chemicalCompound:mwFreebase	464.578
chemicalCompound:alogp	7.39
chemicalCompound:hba	2
chemicalCompound:hbd	1
chemicalCompound:psa	67.42
chemicalCompound:rtb	5
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	8.507
chemicalCompound:acdLogD	8.507
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	464.578
chemicalCompound:chemblId	CHEMBL1886283
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:1326854
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:6570302, activity:7150760, activity:7157901