939021

Source:http://linkedlifedata.com/resource/chembl/compound/939021

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/C21H30O3/c1-13(2)18-14-7-10-17-20(3,15(14)8-9-16(18)22)11-6-12-21(17,4)19(23)24-5/h8-9,13,17,22H,6-7,10-12H2,1-5H3/t17?,20-,21-/m0/s1
chemicalCompound:standardIn...	VEJJMTHWRMKGKN-FUKGKQRISA-N
chemicalCompound:canonicalS...	COC(=O)[C@@]1(C)CCC[C@]2(C)C1CCc3c(C(C)C)c(O)ccc23
chemicalCompound:molecularF...	C21H30O3
chemicalCompound:moleculeId	939021
chemicalCompound:mwFreebase	330.461
chemicalCompound:alogp	5.373
chemicalCompound:hba	3
chemicalCompound:hbd	1
chemicalCompound:psa	46.53
chemicalCompound:rtb	3
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	10.827
chemicalCompound:acdLogP	4.948
chemicalCompound:acdLogD	4.948
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	330.461
chemicalCompound:chemblId	CHEMBL1515137
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:1039021
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:3764164, activity:3868460, activity:3966216, activity:4027704, activity:4099471, activity:4484305, activity:4552822, activity:4699499, activity:4729736, activity:4798687, activity:4854201, activity:4882484, activity:5006086, activity:5074550, activity:7055780, activity:7551124