321895

Source:http://linkedlifedata.com/resource/chembl/compound/321895

Download in:

Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:parent	chemicalCompound:680010
chemicalCompound:standardIn...	InChI=1S/C19H39O7P.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19(21)25-16-18(20)17-26-27(22,23)24;/h18,20H,2-17H2,1H3,(H2,22,23,24);/q;+1/p-1
chemicalCompound:standardIn...	NWOPIWLNGYLZCJ-UHFFFAOYSA-M
chemicalCompound:canonicalS...	[Na+].CCCCCCCCCCCCCCCC(=O)OCC(O)COP(=O)(O)[O-]
chemicalCompound:molecularF...	C19 H38 O7 P . Na
chemicalCompound:moleculeId	321895
chemicalCompound:mwFreebase	410.483
chemicalCompound:alogp	5.497
chemicalCompound:hba	7
chemicalCompound:hbd	3
chemicalCompound:psa	123.1
chemicalCompound:rtb	20
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	1.823
chemicalCompound:acdLogP	4.094
chemicalCompound:acdLogD	-0.19
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	432.464
chemicalCompound:chemblId	CHEMBL190876
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:421895
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	PALMITOYL
chemicalCompound:activity	activity:1507735