1763

Source:http://linkedlifedata.com/resource/chembl/compound/1763

Download in:

Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:synonym	synonym:1763_BETULINIC ACID_TRADE_NAME
chemicalCompound:standardIn...	InChI=1S/C30H48O3/c1-18(2)19-10-15-30(25(32)33)17-16-28(6)20(24(19)30)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h19-24,31H,1,8-17H2,2-7H3,(H,32,33)/t19-,20+,21-,22+,23-,24+,27-,28+,29+,30-/m0/s1
chemicalCompound:standardIn...	QGJZLNKBHJESQX-FZFNOLFKSA-N
chemicalCompound:canonicalS...	CC(=C)[C@@H]1CC[C@@]2(CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]12)C(=O)O
chemicalCompound:molecularF...	C30H48O3
chemicalCompound:moleculeId	1763
chemicalCompound:mwFreebase	456.7
chemicalCompound:alogp	6.546
chemicalCompound:hba	3
chemicalCompound:hbd	2
chemicalCompound:psa	57.53
chemicalCompound:rtb	2
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	4.612
chemicalCompound:acdLogP	7.653
chemicalCompound:acdLogD	4.908
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	456.7
chemicalCompound:chemblId	CHEMBL269277
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:101763
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	BETULINIC ACID
chemicalCompound:activity	activity:61254, activity:61255, activity:61256, activity:61257, activity:61258, activity:61259, activity:61260, activity:61261, activity:61262, activity:61263, activity:61264, activity:61265, activity:61266, activity:61267, activity:61268, activity:61269, activity:61270, activity:61271, activity:61272, activity:61273, activity:61274, activity:61275, activity:61276, activity:61277, activity:61278, activity:61279, activity:61280, activity:61281, activity:61282, activity:61283, activity:61284, activity:76822, activity:76823, activity:76824, activity:76825, activity:85608, activity:85609, activity:85610, activity:85611, activity:136828, activity:136829, activity:136830, activity:136831, activity:156897, activity:156898, activity:161800, activity:161801, activity:228906, activity:228907, activity:228908, activity:386904, activity:386905, activity:386906, activity:908568, activity:908569, activity:908570, activity:908571, activity:908572, activity:908573, activity:928234, activity:928235, activity:928236, activity:928237, activity:928238, activity:928239