217867

Source:http://linkedlifedata.com/resource/chembl/compound/217867

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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/C24H26Cl2N5O8P/c1-13(32)28-20(11-14-2-5-16(6-3-14)39-40(35,36)37)23(34)29-19(8-9-21(27)33)24-30-22(31-38-24)12-15-4-7-17(25)18(26)10-15/h2-7,10,19-20H,8-9,11-12H2,1H3,(H2,27,33)(H,28,32)(H,29,34)(H2,35,36,37)/t19-,20-/m0/s1
chemicalCompound:standardIn...	HKOHWDTYCZDWEW-PMACEKPBSA-N
chemicalCompound:canonicalS...	CC(=O)N[C@@H](Cc1ccc(OP(=O)(O)O)cc1)C(=O)N[C@@H](CCC(=O)N)c2onc(Cc3ccc(Cl)c(Cl)c3)n2
chemicalCompound:molecularF...	C24 H26 Cl2 N5 O8 P
chemicalCompound:moleculeId	217867
chemicalCompound:mwFreebase	614.372
chemicalCompound:alogp	2.066
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	-0.188
chemicalCompound:acdLogD	-4.082
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	614.372
chemicalCompound:chemblId	CHEMBL337459
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:317867
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:974197, activity:974198, activity:974199, activity:974200