243216

Source:http://linkedlifedata.com/resource/chembl/compound/243216

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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/C20H26ClN3O2S/c1-22-11-12-26-18-8-5-16(13-19(18)25-2)14-24-20(27)23-10-9-15-3-6-17(21)7-4-15/h3-8,13,22H,9-12,14H2,1-2H3,(H2,23,24,27)
chemicalCompound:standardIn...	JJYZPFULHNJMQN-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CNCCOc1ccc(C\N=C(/S)\NCCc2ccc(Cl)cc2)cc1OC
chemicalCompound:molecularF...	C20 H26 Cl N3 O2 S
chemicalCompound:moleculeId	243216
chemicalCompound:mwFreebase	407.957
chemicalCompound:alogp	4.376
chemicalCompound:hba	6
chemicalCompound:hbd	3
chemicalCompound:psa	93.68
chemicalCompound:rtb	11
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdLogP	3.809
chemicalCompound:acdLogD	0.353
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	407.957
chemicalCompound:acdMostBpk...	14.536
chemicalCompound:chemblId	CHEMBL358789
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:343216
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:953735