304696

Source:http://linkedlifedata.com/resource/chembl/compound/304696

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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:304696_Aptivus_TRADE_NAME, synonym:304696_Tipranavir_BAN, synonym:304696_Tipranavir_INN, synonym:304696_Tipranavir_USAN
chemicalCompound:standardIn...	InChI=1S/C31H33F3N2O5S/c1-3-16-30(17-15-21-9-6-5-7-10-21)19-26(37)28(29(38)41-30)25(4-2)22-11-8-12-24(18-22)36-42(39,40)27-14-13-23(20-35-27)31(32,33)34/h5-14,18,20,25,36,38H,3-4,15-17,19H2,1-2H3/t25-,30-/m1/s1
chemicalCompound:standardIn...	NZPXPXAGXYTROM-FYBSXPHGSA-N
chemicalCompound:canonicalS...	CCC[C@@]1(CCc2ccccc2)CC(=O)C(=C(O)O1)[C@H](CC)c3cccc(NS(=O)(=O)c4ccc(cn4)C(F)(F)F)c3
chemicalCompound:molecularF...	C31H33F3N2O5S
chemicalCompound:moleculeId	304696
chemicalCompound:mwFreebase	602.664
chemicalCompound:alogp	7.377
chemicalCompound:hba	6
chemicalCompound:hbd	2
chemicalCompound:psa	113.97
chemicalCompound:rtb	12
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	2
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	4.5
chemicalCompound:acdLogP	7.308
chemicalCompound:acdLogD	3.279
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	602.664
chemicalCompound:chemblId	CHEMBL183041
chemicalCompound:maxPhase	4
chemicalCompound:therapeuti...	1
chemicalCompound:dosedIngre...	Yes
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:404696
chemicalCompound:moleculeTy...	moleculeType:Small molecule
chemicalCompound:oral	Yes
chemicalCompound:parenteral	No
chemicalCompound:topical	No
chemicalCompound:blackBoxWa...	Yes
chemicalCompound:naturalPro...	No
chemicalCompound:proDrug	No
chemicalCompound:prefName	TIPRANAVIR
chemicalCompound:firstAppro...	2005
chemicalCompound:activity	activity:1433829, activity:1433830, activity:1519152, activity:1519153, activity:1519154, activity:1519155, activity:1519156, activity:1519157, activity:1834475, activity:1834480, activity:1834485, activity:1834490, activity:1834495, activity:1834500, activity:1834505, activity:1834510, activity:1834515, activity:1834520, activity:1834525, activity:1834530, activity:1834535, activity:1842142, activity:2149690, activity:2149696, activity:2150014, activity:2150018, activity:2150021, activity:2349504, activity:2349508, activity:2349509, activity:2349510, activity:2349511, activity:2349512, activity:2349513, activity:2349548, activity:2357330, activity:2421585, activity:2421586, activity:2421587, activity:2421588, activity:2421589, activity:2421590, activity:2501101, activity:2501106, activity:2501109, activity:2501112, activity:2501115, activity:2501118, activity:2501121, activity:2501124, activity:2501127, activity:2501130, activity:2501133, activity:2501145, activity:2501154, activity:2501155, activity:2501167, activity:3481709, activity:3481710, activity:3481711, activity:3481712