217866

Source:http://linkedlifedata.com/resource/chembl/compound/217866

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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/C24H27ClN5O8P/c1-14(31)27-20(12-15-5-7-18(8-6-15)38-39(34,35)36)23(33)28-19(9-10-21(26)32)24-29-22(30-37-24)13-16-3-2-4-17(25)11-16/h2-8,11,19-20H,9-10,12-13H2,1H3,(H2,26,32)(H,27,31)(H,28,33)(H2,34,35,36)/t19-,20-/m0/s1
chemicalCompound:standardIn...	NFMCTQGKMDAJQF-PMACEKPBSA-N
chemicalCompound:canonicalS...	CC(=O)N[C@@H](Cc1ccc(OP(=O)(O)O)cc1)C(=O)N[C@@H](CCC(=O)N)c2onc(Cc3cccc(Cl)c3)n2
chemicalCompound:molecularF...	C24 H27 Cl N5 O8 P
chemicalCompound:moleculeId	217866
chemicalCompound:mwFreebase	579.927
chemicalCompound:alogp	1.402
chemicalCompound:hba	9
chemicalCompound:hbd	5
chemicalCompound:psa	216.77
chemicalCompound:rtb	13
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	1.269
chemicalCompound:acdLogP	-0.705
chemicalCompound:acdLogD	-4.599
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	579.927
chemicalCompound:chemblId	CHEMBL423330
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:317866
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:947201, activity:947202, activity:947203