787648

Source:http://linkedlifedata.com/resource/chembl/compound/787648

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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/C20H25N5O2/c1-12(2)11-25-18(21)16(20(26)22-10-13-6-5-9-27-13)17-19(25)24-15-8-4-3-7-14(15)23-17/h3-4,7-8,12-13H,5-6,9-11,21H2,1-2H3,(H,22,26)
chemicalCompound:standardIn...	QPHIYTASRVTYFN-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CC(C)Cn1c(N)c(C(=O)NCC2CCCO2)c3nc4ccccc4nc13
chemicalCompound:molecularF...	C20H25N5O2
chemicalCompound:moleculeId	787648
chemicalCompound:mwFreebase	367.445
chemicalCompound:alogp	2.557
chemicalCompound:hba	5
chemicalCompound:hbd	2
chemicalCompound:psa	95.06
chemicalCompound:rtb	5
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	12.271
chemicalCompound:acdLogP	3.564
chemicalCompound:acdLogD	3.564
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	367.445
chemicalCompound:acdMostBpk...	3.23
chemicalCompound:chemblId	CHEMBL1363764
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:887648
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:3691881, activity:3732135, activity:3777638, activity:3913964, activity:3973394, activity:4000674, activity:4020721, activity:4046805, activity:4151099, activity:4232728, activity:4428281, activity:4473336, activity:4594079, activity:4607628, activity:4624091, activity:4634095, activity:4739207, activity:4816489, activity:4833495, activity:4840852, activity:4871387, activity:4879630, activity:4929945, activity:4985058, activity:5027287, activity:5033869, activity:5336713, activity:5352966, activity:5405229, activity:5409340, activity:5560113, activity:5789600, activity:5873125, activity:5966732, activity:6573837, activity:6716432, activity:6737268, activity:6777122, activity:6897783, activity:6984941, activity:7169092, activity:7232953, activity:7308601, activity:7465336, activity:7508683