620176

Source:http://linkedlifedata.com/resource/chembl/compound/620176

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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/C18H18ClN3O2S/c19-12-8-7-11(24-12)13-9-5-3-1-2-4-6-10(9)22-18-14(13)15(20)16(25-18)17(21)23/h7-8H,1-6,20H2,(H2,21,23)
chemicalCompound:standardIn...	UECBTYORZJZSFP-UHFFFAOYSA-N
chemicalCompound:canonicalS...	NC(=O)c1sc2nc3CCCCCCc3c(c4oc(Cl)cc4)c2c1N
chemicalCompound:molecularF...	C18H18ClN3O2S
chemicalCompound:moleculeId	620176
chemicalCompound:mwFreebase	375.872
chemicalCompound:alogp	4.092
chemicalCompound:hba	3
chemicalCompound:hbd	2
chemicalCompound:psa	123.38
chemicalCompound:rtb	2
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	5.636
chemicalCompound:acdLogD	5.628
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	375.872
chemicalCompound:acdMostBpk...	5.884
chemicalCompound:chemblId	CHEMBL1094026
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:720176
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:3252504, activity:3252529, activity:3252530