420633

Source:http://linkedlifedata.com/resource/chembl/compound/420633

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/C26H40O11/c1-11-7-13(28)17-15-12(5-6-25(17,4)16(11)15)24(2,3)37-22-20(31)19(30)18(29)14(36-22)8-34-23-21(32)26(33,9-27)10-35-23/h7,12,14-23,27,29-33H,5-6,8-10H2,1-4H3/t12-,14-,15?,16+,17-,18-,19+,20-,21+,22+,23-,25?,26-/m1/s1
chemicalCompound:standardIn...	XFLVPLJMLLCEOX-CHGLPPAKSA-N
chemicalCompound:canonicalS...	CC1=CC(=O)[C@@H]2C3[C@@H](CCC2(C)[C@@H]13)C(C)(C)O[C@@H]4O[C@H](CO[C@@H]5OC[C@](O)(CO)[C@H]5O)[C@@H](O)[C@H](O)[C@H]4O
chemicalCompound:molecularF...	C26 H40 O11
chemicalCompound:moleculeId	420633
chemicalCompound:mwFreebase	528.589
chemicalCompound:alogp	-1.062
chemicalCompound:hba	11
chemicalCompound:hbd	6
chemicalCompound:psa	175.37
chemicalCompound:rtb	7
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	3
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	12.771
chemicalCompound:acdLogP	0.164
chemicalCompound:acdLogD	0.164
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	528.589
chemicalCompound:chemblId	CHEMBL398270
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:520633
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	TINOSINENSIDE
chemicalCompound:activity	activity:2062390