88100

Source:http://linkedlifedata.com/resource/chembl/compound/88100

Download in:

Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:synonym	synonym:88100_A-84538_RESEARCH_CODE, synonym:88100_ABBOTT-84538_OTHER, synonym:88100_Norvir_OTHER, synonym:88100_Norvir_TRADE_NAME, synonym:88100_Ritonavir_BAN, synonym:88100_Ritonavir_FDA_ALTERNATIVE_NAME, synonym:88100_Ritonavir_INN, synonym:88100_Ritonavir_USAN
chemicalCompound:standardIn...	InChI=1S/C37H48N6O5S2/c1-24(2)33(42-36(46)43(5)20-29-22-49-35(40-29)25(3)4)34(45)39-28(16-26-12-8-6-9-13-26)18-32(44)31(17-27-14-10-7-11-15-27)41-37(47)48-21-30-19-38-23-50-30/h6-15,19,22-25,28,31-33,44H,16-18,20-21H2,1-5H3,(H,39,45)(H,41,47)(H,42,46)/t28-,31-,32-,33-/m0/s1
chemicalCompound:standardIn...	NCDNCNXCDXHOMX-XGKFQTDJSA-N
chemicalCompound:canonicalS...	CC(C)[C@H](NC(=O)N(C)Cc1csc(n1)C(C)C)C(=O)N[C@H](C[C@H](O)[C@H](Cc2ccccc2)NC(=O)OCc3cncs3)Cc4ccccc4
chemicalCompound:molecularF...	C37H48N6O5S2
chemicalCompound:moleculeId	88100
chemicalCompound:mwFreebase	720.944
chemicalCompound:alogp	4.978
chemicalCompound:hba	7
chemicalCompound:hbd	4
chemicalCompound:psa	202.26
chemicalCompound:rtb	18
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	11.467
chemicalCompound:acdLogP	2.333
chemicalCompound:acdLogD	2.333
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	720.944
chemicalCompound:acdMostBpk...	2.51
chemicalCompound:chemblId	CHEMBL163
chemicalCompound:maxPhase	4
chemicalCompound:therapeuti...	1
chemicalCompound:dosedIngre...	Yes
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:188100
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	RITONAVIR
chemicalCompound:chebiParen...	https://linkedlifedata.com/resource/chebi/id/CHEBI:45409
chemicalCompound:firstAppro...	1996
chemicalCompound:activity	activity:66808, activity:66809, activity:66810, activity:66811, activity:66812, activity:66813, activity:66814, activity:66815, activity:66816, activity:88259, activity:88260, activity:88261, activity:97352, activity:97353, activity:97354, activity:167421, activity:167422, activity:167423, activity:167424, activity:169789, activity:169790, activity:206061, activity:206062, activity:206063, activity:206064, activity:206065, activity:206066, activity:206067, activity:206068, activity:206069, activity:206070, activity:206071, activity:206072, activity:206073, activity:206074, activity:206075, activity:206076, activity:206077, activity:206078, activity:206079, activity:206080, activity:206081, activity:206082, activity:206083, activity:206084, activity:206085, activity:206086, activity:206087, activity:206088, activity:206089, activity:206090, activity:206091, activity:206092, activity:206093, activity:206094