71378

Source:http://linkedlifedata.com/resource/chembl/compound/71378

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Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:synonym	synonym:71378_Methyl betulinate_OTHER, synonym:71378_betulinic acid methylester_OTHER
chemicalCompound:standardIn...	InChI=1S/C31H50O3/c1-19(2)20-11-16-31(26(33)34-8)18-17-29(6)21(25(20)31)9-10-23-28(5)14-13-24(32)27(3,4)22(28)12-15-30(23,29)7/h20-25,32H,1,9-18H2,2-8H3/t20-,21+,22-,23+,24-,25+,28-,29+,30+,31-/m0/s1
chemicalCompound:standardIn...	XNZIMRUZBOZIBC-JVRMVBBZSA-N
chemicalCompound:canonicalS...	COC(=O)[C@]12CC[C@H]([C@@H]1[C@H]3CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]3(C)CC2)C(=C)C
chemicalCompound:molecularF...	C31H50O3
chemicalCompound:moleculeId	71378
chemicalCompound:mwFreebase	470.727
chemicalCompound:alogp	6.772
chemicalCompound:hba	3
chemicalCompound:hbd	1
chemicalCompound:psa	46.53
chemicalCompound:rtb	3
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	9.193
chemicalCompound:acdLogD	9.193
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	470.727
chemicalCompound:chemblId	CHEMBL295602
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:171378
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:160632, activity:160633, activity:2175308, activity:2175325, activity:2175342, activity:2175359, activity:2175377, activity:2175394, activity:2175410, activity:2175428, activity:2175445, activity:2320661, activity:2320681, activity:2320701, activity:2320721, activity:2320744, activity:2532631, activity:2532648, activity:2997032, activity:2997033, activity:2997034, activity:3215623, activity:3215674, activity:3310763, activity:3310774, activity:3310785, activity:3310796, activity:3311188, activity:3311199, activity:3311210, activity:3311221, activity:3311232, activity:3311243, activity:3311254, activity:3311265, activity:3311276, activity:3311287, activity:3311298, activity:6161107