1299646

Source:http://linkedlifedata.com/resource/chembl/compound/1299646

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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/C10H12N2S2/c1-8(11-12-10(13)14-2)9-6-4-3-5-7-9/h3-7H,1-2H3,(H,12,13)/b11-8+
chemicalCompound:standardIn...	DAMFAIOELYWARL-DHZHZOJOSA-N
chemicalCompound:canonicalS...	CSC(=S)N\N=C(/C)\c1ccccc1
chemicalCompound:molecularF...	C10H12N2S2
chemicalCompound:moleculeId	1299646
chemicalCompound:mwFreebase	224.346
chemicalCompound:alogp	3.223
chemicalCompound:hba	3
chemicalCompound:hbd	1
chemicalCompound:psa	81.78
chemicalCompound:rtb	4
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	9.585
chemicalCompound:acdLogP	2.71
chemicalCompound:acdLogD	2.708
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	224.346
chemicalCompound:acdMostBpk...	0.439
chemicalCompound:chemblId	CHEMBL1978355
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:1399646
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:3667665, activity:3699304, activity:3746524, activity:4115177, activity:4192208, activity:4487201, activity:4571605, activity:4582874, activity:4902692, activity:4975773, activity:5329897, activity:5390353, activity:5504890, activity:5535405, activity:5564112, activity:5571348, activity:5669349, activity:5725477, activity:5819740, activity:5902214, activity:6525314, activity:6649220, activity:6925234, activity:6979803, activity:7119112, activity:7285833, activity:7390700, activity:10655417