2067

Source:http://linkedlifedata.com/resource/chembl/compound/2067

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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:2067_PA-457_RESEARCH_CODE
chemicalCompound:standardIn...	InChI=1S/C36H56O6/c1-21(2)22-12-17-36(30(40)41)19-18-34(8)23(28(22)36)10-11-25-33(7)15-14-26(42-27(37)20-31(3,4)29(38)39)32(5,6)24(33)13-16-35(25,34)9/h22-26,28H,1,10-20H2,2-9H3,(H,38,39)(H,40,41)/t22-,23+,24-,25+,26-,28+,33-,34+,35+,36-/m0/s1
chemicalCompound:standardIn...	YJEJKUQEXFSVCJ-WRFMNRASSA-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](OC(=O)CC(C)(C)C(=O)O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]12)C(=O)O
chemicalCompound:molecularF...	C36H56O6
chemicalCompound:moleculeId	2067
chemicalCompound:mwFreebase	584.826
chemicalCompound:alogp	7.65
chemicalCompound:hba	6
chemicalCompound:hbd	2
chemicalCompound:psa	100.9
chemicalCompound:rtb	7
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	2
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	4.484
chemicalCompound:acdLogP	9.55
chemicalCompound:acdLogD	4.854
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	584.826
chemicalCompound:chemblId	CHEMBL404519
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:102067
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	BEVIRIMAT
chemicalCompound:activity	activity:86479, activity:86480, activity:86481, activity:86482, activity:254187, activity:254188, activity:254189, activity:861942, activity:861943, activity:1458380, activity:1458381, activity:1458382, activity:1760170, activity:1760184, activity:1760189, activity:1760194, activity:1760204, activity:1760215, activity:1760229, activity:1760235, activity:1760240, activity:1760713, activity:1760715, activity:2051326, activity:2051332, activity:2051336, activity:2179597, activity:2328233, activity:2501834, activity:2501835, activity:2501836, activity:2501837, activity:2501838, activity:2501839, activity:2501840, activity:2501841, activity:2501842, activity:2501843, activity:2501844, activity:2501845, activity:2501846, activity:2501847, activity:2501848, activity:2501849, activity:2501850, activity:2501851, activity:2501852, activity:2501853, activity:2501854, activity:2501855, activity:2501856, activity:2501857, activity:2501858, activity:2501859, activity:2501860, activity:2501861, activity:2501862, activity:2501863, activity:2501864, activity:2501865, activity:2501866, activity:2501867, activity:2501868, activity:2510532, activity:2510560