59203

Source:http://linkedlifedata.com/resource/chembl/compound/59203

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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/C20H18ClN3O/c1-3-15-8-14(11-22)9-16-18(6-7-23-20(15)16)24-12-13-4-5-19(25-2)17(21)10-13/h4-10H,3,12H2,1-2H3,(H,23,24)
chemicalCompound:standardIn...	JVOUAVGOPSBDQT-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CCc1cc(cc2c(NCc3ccc(OC)c(Cl)c3)ccnc12)C#N
chemicalCompound:molecularF...	C20 H18 Cl N3 O
chemicalCompound:moleculeId	59203
chemicalCompound:mwFreebase	351.829
chemicalCompound:alogp	4.877
chemicalCompound:hba	4
chemicalCompound:hbd	1
chemicalCompound:psa	57.94
chemicalCompound:rtb	5
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	4.674
chemicalCompound:acdLogD	4.636
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	351.829
chemicalCompound:acdMostBpk...	6.362
chemicalCompound:chemblId	CHEMBL291127
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:159203
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:488031, activity:488032, activity:488033, activity:488034, activity:488035, activity:488036