188196

Source:http://linkedlifedata.com/resource/chembl/compound/188196

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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:188196_Atazanavir_FDA_ALTERNATIVE_NAME, synonym:188196_Atazanavir_INN, synonym:188196_CGP-73547_RESEARCH_CODE, synonym:188196_Reyataz_TRADE_NAME
chemicalCompound:standardIn...	InChI=1S/C38H52N6O7/c1-37(2,3)31(41-35(48)50-7)33(46)40-29(22-25-14-10-9-11-15-25)30(45)24-44(43-34(47)32(38(4,5)6)42-36(49)51-8)23-26-17-19-27(20-18-26)28-16-12-13-21-39-28/h9-21,29-32,45H,22-24H2,1-8H3,(H,40,46)(H,41,48)(H,42,49)(H,43,47)/t29-,30-,31+,32+/m0/s1
chemicalCompound:standardIn...	AXRYRYVKAWYZBR-GASGPIRDSA-N
chemicalCompound:canonicalS...	COC(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CN(Cc2ccc(cc2)c3ccccn3)NC(=O)[C@@H](NC(=O)OC)C(C)(C)C)C(C)(C)C
chemicalCompound:molecularF...	C38H52N6O7
chemicalCompound:moleculeId	188196
chemicalCompound:mwFreebase	704.855
chemicalCompound:alogp	4.69
chemicalCompound:hba	9
chemicalCompound:hbd	5
chemicalCompound:psa	171.21
chemicalCompound:rtb	18
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	11.112
chemicalCompound:acdLogP	3.894
chemicalCompound:acdLogD	3.892
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	704.855
chemicalCompound:acdMostBpk...	4.649
chemicalCompound:chemblId	CHEMBL1163
chemicalCompound:maxPhase	4
chemicalCompound:therapeuti...	1
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:288196
chemicalCompound:moleculeTy...	moleculeType:Protein
chemicalCompound:oral	Yes
chemicalCompound:parenteral	No
chemicalCompound:topical	No
chemicalCompound:blackBoxWa...	No
chemicalCompound:naturalPro...	No
chemicalCompound:proDrug	No
chemicalCompound:prefName	ATAZANAVIR
chemicalCompound:chebiParen...	https://linkedlifedata.com/resource/chebi/id/CHEBI:37924
chemicalCompound:firstAppro...	2003
chemicalCompound:activity	activity:245984, activity:245985, activity:245986, activity:245987, activity:245988, activity:245989, activity:245990, activity:245991, activity:245992, activity:245993, activity:634517, activity:634518, activity:634519, activity:634520, activity:1475541, activity:1475542, activity:1475543, activity:1485907, activity:1485908, activity:1485909, activity:1485910, activity:1485911, activity:1510668, activity:1510669, activity:1510670, activity:1510671, activity:1510769, activity:1510770, activity:1519140, activity:1519141, activity:1519142, activity:1519143, activity:1519144, activity:1519145, activity:1705478, activity:1705513, activity:1705547, activity:1833352, activity:1833353, activity:1833354, activity:1833355, activity:1833356, activity:1833357, activity:1833358, activity:1833359, activity:1833360, activity:1833361, activity:1833362, activity:1833363, activity:1833364, activity:1833365, activity:1833366, activity:1834002, activity:1834003, activity:1834193, activity:1834199, activity:1834205, activity:1834211, activity:1834217