399739

Source:http://linkedlifedata.com/resource/chembl/compound/399739

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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/C19H24NO4P/c20-18(12-11-15-7-3-1-4-8-15)25(23,24)14-17(19(21)22)13-16-9-5-2-6-10-16/h1-10,17-18H,11-14,20H2,(H,21,22)(H,23,24)/t17-,18+/m1/s1
chemicalCompound:standardIn...	QELOIXSGJMIHBZ-MSOLQXFVSA-N
chemicalCompound:canonicalS...	N[C@H](CCc1ccccc1)P(=O)(O)C[C@@H](Cc2ccccc2)C(=O)O
chemicalCompound:molecularF...	C19H24NO4P
chemicalCompound:moleculeId	399739
chemicalCompound:mwFreebase	361.372
chemicalCompound:alogp	0.284
chemicalCompound:hba	5
chemicalCompound:hbd	3
chemicalCompound:psa	110.43
chemicalCompound:rtb	9
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	2.155
chemicalCompound:acdLogP	1.803
chemicalCompound:acdLogD	-1.7
chemicalCompound:molecularS...	molecularSpecies:ZWITTERION
chemicalCompound:fullMwt	361.372
chemicalCompound:acdMostBpk...	9.467
chemicalCompound:chemblId	CHEMBL393949
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:499739
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:2001426, activity:2001430, activity:2001434, activity:2001439, activity:2001444, activity:2001445, activity:2001446, activity:2001447, activity:2080885