63

Source:http://linkedlifedata.com/resource/chembl/compound/63

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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/C20H25N5O3/c1-4-5-6-7-18(26)24-8-10-25(11-9-24)20-22-15-13-17(28-3)16(27-2)12-14(15)19(21)23-20/h4-7,12-13H,8-11H2,1-3H3,(H2,21,22,23)/b5-4+,7-6+
chemicalCompound:standardIn...	IGAQSPGTMPOCMT-YTXTXJHMSA-N
chemicalCompound:canonicalS...	COc1cc2nc(nc(N)c2cc1OC)N3CCN(CC3)C(=O)\C=C\C=C\C
chemicalCompound:molecularF...	C20 H25 N5 O3
chemicalCompound:moleculeId	63
chemicalCompound:mwFreebase	383.444
chemicalCompound:alogp	1.995
chemicalCompound:hba	7
chemicalCompound:hbd	1
chemicalCompound:psa	93.81
chemicalCompound:rtb	5
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdLogP	2.171
chemicalCompound:acdLogD	2.117
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	383.444
chemicalCompound:acdMostBpk...	6.524
chemicalCompound:chemblId	CHEMBL6340
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:100063
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:333781, activity:333782