604615

Source:http://linkedlifedata.com/resource/chembl/compound/604615

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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/C24H23ClFN5O2/c1-4-33-22-12-20-17(11-21(22)30-23(32)6-5-9-31(2)3)24(15(13-27)14-28-20)29-16-7-8-19(26)18(25)10-16/h5-8,10-12,14H,4,9H2,1-3H3,(H,28,29)(H,30,32)/b6-5+
chemicalCompound:standardIn...	WVUNYSQLFKLYNI-AATRIKPKSA-N
chemicalCompound:canonicalS...	CCOc1cc2ncc(C#N)c(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)\C=C\CN(C)C
chemicalCompound:molecularF...	C24 H23 Cl F N5 O2
chemicalCompound:moleculeId	604615
chemicalCompound:mwFreebase	467.923
chemicalCompound:alogp	4.455
chemicalCompound:hba	6
chemicalCompound:hbd	2
chemicalCompound:psa	90.28
chemicalCompound:rtb	8
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	12.235
chemicalCompound:acdLogP	2.111
chemicalCompound:acdLogD	1.547
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	467.923
chemicalCompound:acdMostBpk...	8.014
chemicalCompound:chemblId	CHEMBL607707
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:704615
chemicalCompound:moleculeTy...	moleculeType:Small molecule
chemicalCompound:oral	No
chemicalCompound:parenteral	No
chemicalCompound:topical	No
chemicalCompound:blackBoxWa...	No
chemicalCompound:naturalPro...	No
chemicalCompound:proDrug	No
chemicalCompound:prefName	PELITINIB
chemicalCompound:chebiParen...	https://linkedlifedata.com/resource/chebi/id/CHEBI:38927
chemicalCompound:activity	activity:144108, activity:144109, activity:144110, activity:144111, activity:144112, activity:347654, activity:347655, activity:347656, activity:347657, activity:347658, activity:586007, activity:586008, activity:1055140, activity:1416298, activity:1416299, activity:1416300, activity:1416301, activity:1416302, activity:1416303, activity:1416304, activity:1416305, activity:1416306, activity:1416307, activity:1416308, activity:1416309, activity:1650001, activity:1650010, activity:1650019, activity:1650028, activity:1650037, activity:1650046, activity:1650055, activity:1650064, activity:1650073, activity:1650082, activity:1650091, activity:1650100, activity:1650109, activity:1650118, activity:1650127, activity:1650136, activity:1650145, activity:1650154, activity:1650163, activity:1650172, activity:1650181, activity:1650190, activity:1650199, activity:1650208, activity:1650217, activity:1650226, activity:1650235, activity:1650244, activity:1650253, activity:1650262, activity:1650271, activity:1650280, activity:1650289, activity:1650298, activity:1650307, activity:1650316, activity:1650325, activity:1650334, activity:1650343