629148

Source:http://linkedlifedata.com/resource/chembl/compound/629148

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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/C32H21N5OS/c38-31-26-25(20-12-5-2-6-13-20)22-15-9-14-21(18-19-10-3-1-4-11-19)27(22)35-28(26)36-32-37(31)29-30(39-32)34-24-17-8-7-16-23(24)33-29/h1-8,10-13,16-18H,9,14-15H2/b21-18-
chemicalCompound:standardIn...	WBQXCDLDFSBPLI-UZYVYHOESA-N
chemicalCompound:canonicalS...	O=C1N2C(=Nc3nc4\C(=C/c5ccccc5)\CCCc4c(c6ccccc6)c13)Sc7nc8ccccc8nc27
chemicalCompound:molecularF...	C32H21N5OS
chemicalCompound:moleculeId	629148
chemicalCompound:mwFreebase	523.607
chemicalCompound:alogp	8.441
chemicalCompound:hba	6
chemicalCompound:hbd	0
chemicalCompound:psa	96.64
chemicalCompound:rtb	2
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	2
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	6.407
chemicalCompound:acdLogD	6.407
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	523.607
chemicalCompound:chemblId	CHEMBL1088548
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:729148
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:3275761, activity:3275773, activity:3275785, activity:3276135, activity:3276148, activity:3276161, activity:3276173, activity:3276190, activity:3276202, activity:3276215