800638

Source:http://linkedlifedata.com/resource/chembl/compound/800638

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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/C16H16ClN3O2S/c17-5-1-6-20-7-4-11-8-10(2-3-13(11)20)9-12-14(21)18-16(23)19-15(12)22/h2-3,8-9H,1,4-7H2,(H2,18,19,21,22,23)
chemicalCompound:standardIn...	FBVHDEZSPHJPEE-UHFFFAOYSA-N
chemicalCompound:canonicalS...	ClCCCN1CCc2cc(C=C3C(=O)NC(=S)NC3=O)ccc12
chemicalCompound:molecularF...	C16H16ClN3O2S
chemicalCompound:moleculeId	800638
chemicalCompound:mwFreebase	349.835
chemicalCompound:alogp	2.728
chemicalCompound:hba	4
chemicalCompound:hbd	2
chemicalCompound:psa	93.53
chemicalCompound:rtb	4
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	5.324
chemicalCompound:acdLogP	1.953
chemicalCompound:acdLogD	0.079
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	349.835
chemicalCompound:acdMostBpk...	4.3
chemicalCompound:chemblId	CHEMBL1376754
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:900638
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:3629535, activity:3693234, activity:3719277, activity:3929334, activity:3969608, activity:4258600, activity:4308469, activity:4354424, activity:4386601, activity:4610593, activity:4629547, activity:4726097, activity:4753744, activity:4828311, activity:4933817, activity:5048443, activity:5373409, activity:5506833, activity:5573813, activity:5651128, activity:5662451, activity:5695729, activity:5708528, activity:5798260, activity:5818450, activity:5970207, activity:5972466, activity:6428286, activity:6545180, activity:6619388, activity:6741533, activity:6778359, activity:6853483, activity:6884818, activity:7015208, activity:7044316, activity:7140227, activity:7388674, activity:8776821, activity:9020135, activity:9720252, activity:10170411, activity:10431774, activity:10668497