100956

Source:http://linkedlifedata.com/resource/chembl/compound/100956

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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/C14H23BrN5O5P/c1-8(2)24-26(22,25-9(3)4)7-23-6-5-20-11-10(17-13(20)15)12(21)19-14(16)18-11/h8-9H,5-7H2,1-4H3,(H3,16,18,19,21)
chemicalCompound:standardIn...	AQENQMWWXQEOFK-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CC(C)OP(=O)(COCCn1c(Br)nc2c(O)nc(N)nc12)OC(C)C
chemicalCompound:molecularF...	C14 H23 Br N5 O5 P
chemicalCompound:moleculeId	100956
chemicalCompound:mwFreebase	452.241
chemicalCompound:alogp	1.646
chemicalCompound:hba	9
chemicalCompound:hbd	2
chemicalCompound:psa	144.42
chemicalCompound:rtb	9
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	-0.007
chemicalCompound:acdLogP	2.115
chemicalCompound:acdLogD	-0.392
chemicalCompound:molecularS...	molecularSpecies:ZWITTERION
chemicalCompound:fullMwt	452.241
chemicalCompound:acdMostBpk...	9.114
chemicalCompound:chemblId	CHEMBL294794
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:200956
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:544121, activity:544122, activity:544123, activity:544124, activity:544125, activity:544126, activity:544127, activity:544128, activity:544129, activity:544130, activity:544131, activity:544132, activity:544133, activity:544134, activity:544135, activity:544136, activity:544137