872938

Source:http://linkedlifedata.com/resource/chembl/compound/872938

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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/C14H17N3OS/c1-3-5-13-8-11(10-19-13)14(18)16-15-9-12-6-4-7-17(12)2/h4,6-10H,3,5H2,1-2H3,(H,16,18)
chemicalCompound:standardIn...	KRNVQXKLZNMRGV-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CCCc1cc(cs1)C(=O)NN=Cc2cccn2C
chemicalCompound:molecularF...	C14H17N3OS
chemicalCompound:moleculeId	872938
chemicalCompound:mwFreebase	275.369
chemicalCompound:alogp	3.205
chemicalCompound:hba	2
chemicalCompound:hbd	1
chemicalCompound:psa	74.63
chemicalCompound:rtb	5
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	12.923
chemicalCompound:acdLogP	3.738
chemicalCompound:acdLogD	3.738
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	275.369
chemicalCompound:acdMostBpk...	0.429
chemicalCompound:chemblId	CHEMBL1449054
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:972938
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:3822798, activity:3833992, activity:4071539, activity:4337692, activity:4692107, activity:4765601, activity:4958473, activity:5383708, activity:5671281, activity:5716871, activity:5808304, activity:5908992, activity:6657830, activity:6742158, activity:7396268, activity:7516596