495677

Source:http://linkedlifedata.com/resource/chembl/compound/495677

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/C26H32O5/c1-18(11-12-21-10-5-6-14-26(21,3)4)8-7-9-19(2)13-15-31-25(30)20-16-22(27)24(29)23(28)17-20/h7-13,16-17,27-29H,5-6,14-15H2,1-4H3/b9-7+,12-11+,18-8+,19-13+
chemicalCompound:standardIn...	DVIXYPQNQOMSPV-QCUNPITJSA-N
chemicalCompound:canonicalS...	C\C(=C/COC(=O)c1cc(O)c(O)c(O)c1)\C=C\C=C(/C)\C=C\C2=CCCCC2(C)C
chemicalCompound:molecularF...	C26H32O5
chemicalCompound:moleculeId	495677
chemicalCompound:mwFreebase	424.529
chemicalCompound:alogp	6.187
chemicalCompound:hba	5
chemicalCompound:hbd	3
chemicalCompound:psa	86.99
chemicalCompound:rtb	8
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	7.795
chemicalCompound:acdLogP	7.249
chemicalCompound:acdLogD	7.072
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	424.529
chemicalCompound:chemblId	CHEMBL459533
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:595677
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:2618485, activity:2618497, activity:2618510, activity:2618518, activity:2618528, activity:2618539, activity:2618546, activity:2618553, activity:2618556, activity:2618560, activity:2618563, activity:2618566, activity:2618568, activity:2618569, activity:2618570, activity:2618571, activity:2618582