430469

Source:http://linkedlifedata.com/resource/chembl/compound/430469

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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/C20H21N5O3/c1-10-8-14(25-9-16(23-20(22)28)17(24-25)19(21)27)4-5-15(10)13-6-11(2)18(26)12(3)7-13/h4-9,26H,1-3H3,(H2,21,27)(H3,22,23,28)
chemicalCompound:standardIn...	BTWVXGQJZPRRBH-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Cc1cc(cc(C)c1O)c2ccc(cc2C)n3cc(NC(=O)N)c(n3)C(=O)N
chemicalCompound:molecularF...	C20 H21 N5 O3
chemicalCompound:moleculeId	430469
chemicalCompound:mwFreebase	379.412
chemicalCompound:alogp	3.132
chemicalCompound:hba	4
chemicalCompound:hbd	4
chemicalCompound:psa	136.26
chemicalCompound:rtb	4
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	10.461
chemicalCompound:acdLogP	4.341
chemicalCompound:acdLogD	4.34
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	379.412
chemicalCompound:chemblId	CHEMBL411503
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:530469
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:2125427, activity:2125449, activity:2125465