113319

Source:http://linkedlifedata.com/resource/chembl/compound/113319

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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/C18H36N5O2P/c1-15(2)9-13(10-16(3,4)21-15)19-14(24)20-26(25,22-11-17(22,5)6)23-12-18(23,7)8/h13,21H,9-12H2,1-8H3,(H2,19,20,24,25)
chemicalCompound:standardIn...	XJDRHDRKWPRJBI-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CC1(C)CC(CC(C)(C)N1)NC(=O)NP(=O)(N2CC2(C)C)N3CC3(C)C
chemicalCompound:molecularF...	C18 H36 N5 O2 P
chemicalCompound:moleculeId	113319
chemicalCompound:mwFreebase	385.484
chemicalCompound:alogp	0
chemicalCompound:hba	3
chemicalCompound:hbd	3
chemicalCompound:psa	86.06
chemicalCompound:rtb	4
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	12.68
chemicalCompound:acdLogP	0.791
chemicalCompound:acdLogD	-1.976
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	385.484
chemicalCompound:acdMostBpk...	10.364
chemicalCompound:chemblId	CHEMBL70451
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:213319
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:502281, activity:502282, activity:502283, activity:502284, activity:502285, activity:502286, activity:502287