716549

Source:http://linkedlifedata.com/resource/chembl/compound/716549

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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/C19H14ClN3O3S/c1-10-17(24)21-14-8-11(5-6-16(14)26-10)15-9-27-19(22-15)23-18(25)12-3-2-4-13(20)7-12/h2-10H,1H3,(H,21,24)(H,22,23,25)/t10-/m0/s1
chemicalCompound:standardIn...	RBOBRTIZLCZSMH-JTQLQIEISA-N
chemicalCompound:canonicalS...	C[C@@H]1Oc2ccc(cc2NC1=O)c3csc(NC(=O)c4cccc(Cl)c4)n3
chemicalCompound:molecularF...	C19H14ClN3O3S
chemicalCompound:moleculeId	716549
chemicalCompound:mwFreebase	399.851
chemicalCompound:alogp	3.497
chemicalCompound:hba	4
chemicalCompound:hbd	2
chemicalCompound:psa	108.56
chemicalCompound:rtb	3
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	6.668
chemicalCompound:acdLogP	5.644
chemicalCompound:acdLogD	4.878
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	399.851
chemicalCompound:acdMostBpk...	1.551
chemicalCompound:chemblId	CHEMBL1290136
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:816549
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:3595750