101141

Source:http://linkedlifedata.com/resource/chembl/compound/101141

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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/C14H24N5O5P/c1-9(2)23-25(21,24-10(3)4)8-22-6-5-19-7-16-11-12(19)17-14(15)18-13(11)20/h7,9-10H,5-6,8H2,1-4H3,(H3,15,17,18,20)
chemicalCompound:standardIn...	GDRRARQNRFTRCP-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CC(C)OP(=O)(COCCn1cnc2c(O)nc(N)nc12)OC(C)C
chemicalCompound:molecularF...	C14 H24 N5 O5 P
chemicalCompound:moleculeId	101141
chemicalCompound:mwFreebase	373.345
chemicalCompound:alogp	0.661
chemicalCompound:hba	9
chemicalCompound:hbd	2
chemicalCompound:psa	144.42
chemicalCompound:rtb	9
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	0.459
chemicalCompound:acdLogP	-0.157
chemicalCompound:acdLogD	-2.657
chemicalCompound:molecularS...	molecularSpecies:ZWITTERION
chemicalCompound:fullMwt	373.345
chemicalCompound:acdMostBpk...	10.083
chemicalCompound:chemblId	CHEMBL63930
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:201141
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:544170, activity:544171, activity:544172, activity:544173, activity:544174, activity:544175, activity:544176, activity:544177, activity:544178, activity:544179, activity:544180, activity:544181, activity:544182, activity:544183, activity:544184, activity:544185, activity:544186