40099

Source:http://linkedlifedata.com/resource/chembl/compound/40099

Download in:

Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:standardIn...	InChI=1S/C24H24N5O9P/c1-16(30)35-18-3-7-20(8-4-18)37-39(32,38-21-9-5-19(6-10-21)36-17(2)31)15-33-11-12-34-29-14-28-22-23(25)26-13-27-24(22)29/h3-10,13-14H,11-12,15H2,1-2H3,(H2,25,26,27)
chemicalCompound:standardIn...	LELJSZNZLHKCDP-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CC(=O)Oc1ccc(OP(=O)(COCCOn2cnc3c(N)ncnc23)Oc4ccc(OC(=O)C)cc4)cc1
chemicalCompound:molecularF...	C24 H24 N5 O9 P
chemicalCompound:moleculeId	40099
chemicalCompound:mwFreebase	557.449
chemicalCompound:alogp	0
chemicalCompound:hba	13
chemicalCompound:hbd	1
chemicalCompound:psa	186.02
chemicalCompound:rtb	14
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	2
chemicalCompound:medChemFri...	N
chemicalCompound:acdLogP	1.871
chemicalCompound:acdLogD	1.87
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	557.449
chemicalCompound:acdMostBpk...	4.418
chemicalCompound:chemblId	CHEMBL416195
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:140099
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:557557, activity:557558, activity:557559, activity:557560