17169

Source:http://linkedlifedata.com/resource/chembl/compound/17169

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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:17169_Fortovase_TRADE_NAME, synonym:17169_Invirase_OTHER, synonym:17169_Invirase_TRADE_NAME, synonym:17169_Ro-31-8959_RESEARCH_CODE, synonym:17169_Saquinavir_BAN, synonym:17169_Saquinavir_FDA_ALTERNATIVE_NAME, synonym:17169_Saquinavir_INN, synonym:17169_Saquinavir_USAN, synonym:17169_Saquinavir_USP
chemicalCompound:standardIn...	InChI=1S/C38H50N6O5/c1-38(2,3)43-37(49)32-20-26-14-7-8-15-27(26)22-44(32)23-33(45)30(19-24-11-5-4-6-12-24)41-36(48)31(21-34(39)46)42-35(47)29-18-17-25-13-9-10-16-28(25)40-29/h4-6,9-13,16-18,26-27,30-33,45H,7-8,14-15,19-23H2,1-3H3,(H2,39,46)(H,41,48)(H,42,47)(H,43,49)/t26-,27+,30-,31-,32-,33+/m0/s1
chemicalCompound:standardIn...	QWAXKHKRTORLEM-UGJKXSETSA-N
chemicalCompound:canonicalS...	CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2CN1C[C@@H](O)[C@H](Cc3ccccc3)NC(=O)[C@H](CC(=O)N)NC(=O)c4ccc5ccccc5n4
chemicalCompound:molecularF...	C38H50N6O5
chemicalCompound:moleculeId	17169
chemicalCompound:mwFreebase	670.841
chemicalCompound:alogp	3.667
chemicalCompound:hba	7
chemicalCompound:hbd	5
chemicalCompound:psa	166.75
chemicalCompound:rtb	13
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	11.049
chemicalCompound:acdLogP	5.081
chemicalCompound:acdLogD	5.047
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	670.841
chemicalCompound:acdMostBpk...	6.295
chemicalCompound:chemblId	CHEMBL114
chemicalCompound:maxPhase	4
chemicalCompound:therapeuti...	1
chemicalCompound:dosedIngre...	Yes
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:117169
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	SAQUINAVIR
chemicalCompound:chebiParen...	https://linkedlifedata.com/resource/chebi/id/CHEBI:45279
chemicalCompound:firstAppro...	1995
chemicalCompound:activity	activity:32993, activity:32994, activity:32995, activity:32996, activity:32997, activity:32998, activity:32999, activity:33000, activity:66200, activity:66201, activity:66202, activity:172279, activity:172280, activity:172281, activity:172282, activity:220224, activity:220225, activity:365763, activity:421528, activity:421529, activity:421530, activity:425675, activity:425676, activity:425677, activity:425678, activity:425679, activity:425680, activity:461496, activity:461497, activity:542541, activity:576896, activity:576897, activity:576898, activity:576899, activity:612690, activity:612691, activity:612692, activity:640491, activity:640492, activity:640493, activity:640494, activity:640495, activity:640496, activity:662135, activity:662136, activity:690641, activity:690642, activity:724538, activity:765626, activity:765627, activity:766637, activity:766638, activity:766639, activity:816069