872457

Source:http://linkedlifedata.com/resource/chembl/compound/872457

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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/C20H15FN4S/c21-13-6-5-7-14(12-13)22-20(26)25-24-19-15-8-1-3-10-17(15)23-18-11-4-2-9-16(18)19/h1-12H,(H,23,24)(H2,22,25,26)
chemicalCompound:standardIn...	WDNOIICCOLVXNR-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Fc1cccc(NC(=NNc2c3ccccc3nc4ccccc24)S)c1
chemicalCompound:molecularF...	C20H15FN4S
chemicalCompound:moleculeId	872457
chemicalCompound:mwFreebase	362.423
chemicalCompound:alogp	5.557
chemicalCompound:hba	5
chemicalCompound:hbd	3
chemicalCompound:psa	88.11
chemicalCompound:rtb	4
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	5.34
chemicalCompound:acdLogP	4.799
chemicalCompound:acdLogD	3.77
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	362.423
chemicalCompound:acdMostBpk...	8.151
chemicalCompound:chemblId	CHEMBL1448573
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:972457
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:3621786, activity:3716229, activity:3739085, activity:3870198, activity:3935655, activity:3942986, activity:4011914, activity:4127284, activity:4197427, activity:4332578, activity:4400677, activity:4540841, activity:4693555, activity:4717980, activity:4744177, activity:4855851, activity:4876833, activity:4914122, activity:4948408, activity:5061701, activity:5335066, activity:5370476, activity:5393068, activity:5425336, activity:5705668, activity:5817333, activity:5891523, activity:5972425, activity:6478474, activity:6615472, activity:6734096, activity:6750866, activity:6872734, activity:7015129, activity:7192108, activity:7287306, activity:7341598, activity:7486272