100955

Source:http://linkedlifedata.com/resource/chembl/compound/100955

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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/C24H43ClN5O4P/c1-19(2)11-7-5-9-14-33-35(31,34-15-10-6-8-12-20(3)4)18-32-16-13-30-17-27-21-22(25)28-24(26)29-23(21)30/h17,19-20H,5-16,18H2,1-4H3,(H2,26,28,29)
chemicalCompound:standardIn...	ISTHSRUPXRGNIN-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CC(C)CCCCCOP(=O)(COCCn1cnc2c(Cl)nc(N)nc12)OCCCCCC(C)C
chemicalCompound:molecularF...	C24 H43 Cl N5 O4 P
chemicalCompound:moleculeId	100955
chemicalCompound:mwFreebase	532.056
chemicalCompound:alogp	5.683
chemicalCompound:hba	8
chemicalCompound:hbd	1
chemicalCompound:psa	124.19
chemicalCompound:rtb	19
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	2
chemicalCompound:medChemFri...	N
chemicalCompound:acdLogP	6.17
chemicalCompound:acdLogD	6.17
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	532.056
chemicalCompound:acdMostBpk...	2.014
chemicalCompound:chemblId	CHEMBL62595
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:200955
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:519067, activity:519068, activity:519069, activity:519070, activity:519071, activity:519072, activity:519073, activity:519074, activity:519075, activity:519076, activity:519077, activity:519078, activity:519079, activity:519080