641194

Source:http://linkedlifedata.com/resource/chembl/compound/641194

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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:641194_Nelfinavir_FDA_ALTERNATIVE_NAME, synonym:641194_Nelfinavir_INN, synonym:641194_Viracept_OTHER
chemicalCompound:standardIn...	InChI=1S/C32H45N3O4S/c1-21-25(15-10-16-28(21)36)30(38)33-26(20-40-24-13-6-5-7-14-24)29(37)19-35-18-23-12-9-8-11-22(23)17-27(35)31(39)34-32(2,3)4/h5-7,10,13-16,22-23,26-27,29,36-37H,8-9,11-12,17-20H2,1-4H3,(H,33,38)(H,34,39)/t22-,23+,26+,27-,29+/m0/s1
chemicalCompound:standardIn...	QAGYKUNXZHXKMR-DPOQDUSSSA-N
chemicalCompound:canonicalS...	Cc1c(O)cccc1C(=O)N[C@H](CSc2ccccc2)[C@H](O)CN3C[C@H]4CCCC[C@H]4C[C@H]3C(=O)NC(C)(C)C
chemicalCompound:molecularF...	C32H45N3O4S
chemicalCompound:moleculeId	641194
chemicalCompound:mwFreebase	567.782
chemicalCompound:alogp	5.285
chemicalCompound:hba	6
chemicalCompound:hbd	4
chemicalCompound:psa	127.2
chemicalCompound:rtb	10
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	2
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	9.579
chemicalCompound:acdLogP	7.278
chemicalCompound:acdLogD	7.264
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	567.782
chemicalCompound:acdMostBpk...	6.213
chemicalCompound:chemblId	CHEMBL1159655
chemicalCompound:maxPhase	4
chemicalCompound:therapeuti...	1
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:741194
chemicalCompound:moleculeTy...	moleculeType:Small molecule
chemicalCompound:oral	Yes
chemicalCompound:parenteral	No
chemicalCompound:topical	No
chemicalCompound:blackBoxWa...	No
chemicalCompound:naturalPro...	No
chemicalCompound:proDrug	No
chemicalCompound:prefName	NELFINAVIR
chemicalCompound:firstAppro...	1997
chemicalCompound:activity	activity:183503, activity:183504, activity:183505, activity:183506, activity:375020, activity:375021, activity:375022, activity:375023, activity:565696, activity:565697, activity:565698, activity:565699, activity:656108, activity:656109, activity:656110, activity:656111, activity:656112, activity:656113, activity:847369, activity:1036267, activity:1152318, activity:1152319, activity:1154163, activity:1154164, activity:1154165, activity:1154166, activity:1154167, activity:1154168, activity:1154169, activity:1154170, activity:1402558, activity:1402559, activity:1402560, activity:1402561, activity:1402562, activity:1402563, activity:1421811, activity:1475943, activity:1475944, activity:1475945, activity:1485887, activity:1485888, activity:1485889, activity:1485890, activity:1485891, activity:1510795, activity:1510796, activity:1510797, activity:1510798, activity:1510799, activity:1510800, activity:1705473, activity:1705508, activity:1705542, activity:1750571, activity:1750577, activity:1750582, activity:1750587, activity:1750597, activity:1750602, activity:1750607