167458

Source:http://linkedlifedata.com/resource/chembl/compound/167458

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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/C12H19O10P/c13-9(14)3-1-7(11(17)18)5-23(21,22)6-8(12(19)20)2-4-10(15)16/h7-8H,1-6H2,(H,13,14)(H,15,16)(H,17,18)(H,19,20)(H,21,22)/t7-,8-/m1/s1
chemicalCompound:standardIn...	SGRJLTOOQLQDRH-HTQZYQBOSA-N
chemicalCompound:canonicalS...	OC(=O)CC[C@H](CP(=O)(O)C[C@@H](CCC(=O)O)C(=O)O)C(=O)O
chemicalCompound:molecularF...	C12 H19 O10 P
chemicalCompound:moleculeId	167458
chemicalCompound:mwFreebase	354.247
chemicalCompound:alogp	-0.737
chemicalCompound:hba	10
chemicalCompound:hbd	5
chemicalCompound:psa	196.3
chemicalCompound:rtb	12
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	2.71
chemicalCompound:acdLogP	-2.133
chemicalCompound:acdLogD	-9.838
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	354.247
chemicalCompound:chemblId	CHEMBL103725
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:267458
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:413134