733362

Source:http://linkedlifedata.com/resource/chembl/compound/733362

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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/C16H12N4OS3/c1-8-7-23-16(18-8)20-14(21)13-12(17)9-4-5-10(19-15(9)24-13)11-3-2-6-22-11/h2-7H,17H2,1H3,(H,18,20,21)
chemicalCompound:standardIn...	FMKRJNAUBWDCBD-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Cc1csc(NC(=O)c2sc3nc(ccc3c2N)c4cccs4)n1
chemicalCompound:molecularF...	C16H12N4OS3
chemicalCompound:moleculeId	733362
chemicalCompound:mwFreebase	372.488
chemicalCompound:alogp	3.249
chemicalCompound:hba	4
chemicalCompound:hbd	2
chemicalCompound:psa	165.62
chemicalCompound:rtb	3
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	4.337
chemicalCompound:acdLogP	4.453
chemicalCompound:acdLogD	2.644
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	372.488
chemicalCompound:acdMostBpk...	5.39
chemicalCompound:chemblId	CHEMBL1309478
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:833362
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:3617009, activity:3714588, activity:3744213, activity:3779749, activity:3784206, activity:3804276, activity:3811966, activity:3842672, activity:3850845, activity:3951843, activity:3960645, activity:4068179, activity:4169865, activity:4346840, activity:4412378, activity:4450235, activity:4466706, activity:4568692, activity:4582455, activity:4671281, activity:4716889, activity:4739891, activity:4801338, activity:4831830, activity:4848920, activity:4869551, activity:4881013, activity:4884042, activity:4909555, activity:5064511, activity:5067498, activity:5329521, activity:5332624, activity:5393378, activity:5432962, activity:5500959, activity:5531299, activity:5655375, activity:5691832, activity:5694565, activity:5874316, activity:5963679, activity:6461253, activity:6621846, activity:6721558, activity:6905518, activity:6963054, activity:6967980, activity:7114341, activity:7241218, activity:7361327, activity:7371614, activity:7493820, activity:9833619, activity:10594354