104

Source:http://linkedlifedata.com/resource/chembl/compound/104

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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/C24H24N6O3S/c1-32-20-13-18-19(14-21(20)33-2)27-24(28-23(18)25)30-11-9-29(10-12-30)22(31)8-5-16-3-6-17(7-4-16)26-15-34/h3-8,13-14H,9-12H2,1-2H3,(H2,25,27,28)/b8-5+
chemicalCompound:standardIn...	ZHMJIRWYALNKFS-VMPITWQZSA-N
chemicalCompound:canonicalS...	COc1cc2nc(nc(N)c2cc1OC)N3CCN(CC3)C(=O)\C=C\c4ccc(cc4)N=C=S
chemicalCompound:molecularF...	C24 H24 N6 O3 S
chemicalCompound:moleculeId	104
chemicalCompound:mwFreebase	476.551
chemicalCompound:alogp	3.319
chemicalCompound:hba	9
chemicalCompound:hbd	1
chemicalCompound:psa	138.26
chemicalCompound:rtb	6
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdLogP	4.564
chemicalCompound:acdLogD	4.51
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	476.551
chemicalCompound:acdMostBpk...	6.524
chemicalCompound:chemblId	CHEMBL6314
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:100104
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:332261, activity:332262