36002

Source:http://linkedlifedata.com/resource/chembl/compound/36002

Download in:

Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:standardIn...	InChI=1S/C20H32N2O7/c1-3-4-5-6-7-8-9-10-15(24)29-17-16(25)14(12-23)28-19(17)22-11-13(2)18(26)21-20(22)27/h11,14,16-17,19,23,25H,3-10,12H2,1-2H3,(H,21,26,27)
chemicalCompound:standardIn...	RODPFHDKOVCRPV-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CCCCCCCCCC(=O)OC1C(O)C(CO)OC1N2C=C(C)C(=O)NC2=O
chemicalCompound:molecularF...	C20 H32 N2 O7
chemicalCompound:moleculeId	36002
chemicalCompound:mwFreebase	412.477
chemicalCompound:alogp	2.235
chemicalCompound:hba	7
chemicalCompound:hbd	3
chemicalCompound:psa	125.4
chemicalCompound:rtb	12
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	9.551
chemicalCompound:acdLogP	3.977
chemicalCompound:acdLogD	3.974
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	412.477
chemicalCompound:chemblId	CHEMBL26529
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:136002
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:1087634, activity:1087635, activity:1087636, activity:1087637, activity:1087638