463080

Source:http://linkedlifedata.com/resource/chembl/compound/463080

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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/C33H66NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-32(35)39-29-31(30-41-43(37,38)40-28-27-34)42-33(36)26-24-22-20-18-16-14-12-10-8-6-4-2/h31H,3-30,34H2,1-2H3,(H,37,38)
chemicalCompound:standardIn...	NEZDNQCXEZDCBI-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCCN)OC(=O)CCCCCCCCCCCCC
chemicalCompound:molecularF...	C33H66NO8P
chemicalCompound:moleculeId	463080
chemicalCompound:mwFreebase	635.853
chemicalCompound:alogp	9.858
chemicalCompound:hba	9
chemicalCompound:hbd	2
chemicalCompound:psa	144.19
chemicalCompound:rtb	35
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	2
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	1.174
chemicalCompound:acdLogP	11.007
chemicalCompound:acdLogD	8.413
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	635.853
chemicalCompound:acdMostBpk...	8.018
chemicalCompound:chemblId	CHEMBL448115
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:563080
chemicalCompound:moleculeTy...	moleculeType:Small molecule
chemicalCompound:oral	No
chemicalCompound:parenteral	No
chemicalCompound:topical	No
chemicalCompound:blackBoxWa...	No
chemicalCompound:naturalPro...	No
chemicalCompound:proDrug	No
chemicalCompound:prefName	PHOSPHATIDYLETHANOLAMINE
chemicalCompound:activity	activity:2319063