870814

Source:http://linkedlifedata.com/resource/chembl/compound/870814

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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/C22H24N4O3S/c1-28-18-7-3-5-16(13-18)20-15-30-22(24-20)26-11-9-25(10-12-26)21(27)23-17-6-4-8-19(14-17)29-2/h3-8,13-15H,9-12H2,1-2H3,(H,23,27)
chemicalCompound:standardIn...	GEHJNTNPOWDKMS-UHFFFAOYSA-N
chemicalCompound:canonicalS...	COc1cccc(NC(=O)N2CCN(CC2)c3nc(cs3)c4cccc(OC)c4)c1
chemicalCompound:molecularF...	C22H24N4O3S
chemicalCompound:moleculeId	870814
chemicalCompound:mwFreebase	424.516
chemicalCompound:alogp	3.072
chemicalCompound:hba	5
chemicalCompound:hbd	1
chemicalCompound:psa	95.17
chemicalCompound:rtb	5
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	13.48
chemicalCompound:acdLogP	3.372
chemicalCompound:acdLogD	3.359
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	424.516
chemicalCompound:acdMostBpk...	5.907
chemicalCompound:chemblId	CHEMBL1446930
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:970814
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:3954010, activity:4009195, activity:4465133, activity:4753518, activity:5408393, activity:5575203, activity:5872162, activity:6570129, activity:6737087, activity:7033601, activity:7165433, activity:7232884, activity:7305086, activity:7414249