1316189

Source:http://linkedlifedata.com/resource/chembl/compound/1316189

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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/C17H15Cl2N3OS/c1-11-10-20-17(24-11)22(15-4-2-3-13(19)9-15)16(23)21-14-7-5-12(18)6-8-14/h2-9,11H,10H2,1H3,(H,21,23)
chemicalCompound:standardIn...	PVRQPOJKMCLIQD-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CC1CN=C(S1)N(C(=O)Nc2ccc(Cl)cc2)c3cccc(Cl)c3
chemicalCompound:molecularF...	C17H15Cl2N3OS
chemicalCompound:moleculeId	1316189
chemicalCompound:mwFreebase	380.292
chemicalCompound:alogp	5.499
chemicalCompound:hba	3
chemicalCompound:hbd	1
chemicalCompound:psa	70
chemicalCompound:rtb	3
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	12.597
chemicalCompound:acdLogP	5.313
chemicalCompound:acdLogD	5.312
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	380.292
chemicalCompound:acdMostBpk...	5.009
chemicalCompound:chemblId	CHEMBL1994898
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:1416189
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:8232815, activity:8293221, activity:8353775, activity:8364452, activity:8387664, activity:8451762, activity:8476187, activity:8540953, activity:8561060, activity:8625929, activity:8641837, activity:8709009, activity:8710852, activity:8746607, activity:8758016, activity:8844031, activity:8850735, activity:8881850, activity:8949853, activity:8986970, activity:9054422, activity:9057678, activity:9122174, activity:9150775, activity:9166667, activity:9275100, activity:9339215, activity:9415608, activity:9492065, activity:9494591, activity:9667064, activity:9699341, activity:9741590, activity:9835120, activity:9846215, activity:9879380, activity:9913255, activity:10016519, activity:10020745, activity:10036319, activity:10060133, activity:10135643, activity:10150929, activity:10261762, activity:10356220, activity:10383906, activity:10430385, activity:10453831, activity:10481442, activity:10574866, activity:10659352, activity:10683373, activity:10780831