399742

Source:http://linkedlifedata.com/resource/chembl/compound/399742

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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/C19H24NO5P/c20-18(11-8-14-4-2-1-3-5-14)26(24,25)13-16(19(22)23)12-15-6-9-17(21)10-7-15/h1-7,9-10,16,18,21H,8,11-13,20H2,(H,22,23)(H,24,25)/t16-,18+/m1/s1
chemicalCompound:standardIn...	STVSJGZHUJJREA-AEFFLSMTSA-N
chemicalCompound:canonicalS...	N[C@H](CCc1ccccc1)P(=O)(O)C[C@@H](Cc2ccc(O)cc2)C(=O)O
chemicalCompound:molecularF...	C19 H24 N O5 P
chemicalCompound:moleculeId	399742
chemicalCompound:mwFreebase	377.371
chemicalCompound:alogp	0.042
chemicalCompound:hba	6
chemicalCompound:hbd	4
chemicalCompound:psa	130.66
chemicalCompound:rtb	9
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	2.133
chemicalCompound:acdLogP	1.15
chemicalCompound:acdLogD	-2.354
chemicalCompound:molecularS...	molecularSpecies:ZWITTERION
chemicalCompound:fullMwt	377.371
chemicalCompound:acdMostBpk...	9.455
chemicalCompound:chemblId	CHEMBL393950
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:499742
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:2001425, activity:2001429, activity:2001433, activity:2001438