100959

Source:http://linkedlifedata.com/resource/chembl/compound/100959

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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/C14H23ClN5O4P/c1-9(2)23-25(21,24-10(3)4)8-22-6-5-20-7-17-11-12(15)18-14(16)19-13(11)20/h7,9-10H,5-6,8H2,1-4H3,(H2,16,18,19)
chemicalCompound:standardIn...	VPODKOINXYQOJB-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CC(C)OP(=O)(COCCn1cnc2c(Cl)nc(N)nc12)OC(C)C
chemicalCompound:molecularF...	C14 H23 Cl N5 O4 P
chemicalCompound:moleculeId	100959
chemicalCompound:mwFreebase	391.79
chemicalCompound:alogp	1.237
chemicalCompound:hba	8
chemicalCompound:hbd	1
chemicalCompound:psa	124.19
chemicalCompound:rtb	9
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdLogP	1.075
chemicalCompound:acdLogD	1.075
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	391.79
chemicalCompound:acdMostBpk...	2.015
chemicalCompound:chemblId	CHEMBL553565
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:200959
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:546890, activity:546891, activity:546892, activity:546893, activity:546894, activity:546895, activity:546896, activity:546897, activity:546898, activity:546899, activity:546900, activity:546901, activity:546902, activity:546903, activity:546904, activity:546905, activity:546906