47447

Source:http://linkedlifedata.com/resource/chembl/compound/47447

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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:47447_MK-476_RESEARCH_CODE, synonym:47447_Montelo-10_TRADE_NAME, synonym:47447_Montelukast_FDA_ALTERNATIVE_NAME, synonym:47447_Montelukast_INN, synonym:47447_Singulair_TRADE_NAME
chemicalCompound:standardIn...	InChI=1S/C35H36ClNO3S/c1-34(2,40)30-9-4-3-7-25(30)13-17-32(41-23-35(18-19-35)22-33(38)39)27-8-5-6-24(20-27)10-15-29-16-12-26-11-14-28(36)21-31(26)37-29/h3-12,14-16,20-21,32,40H,13,17-19,22-23H2,1-2H3,(H,38,39)/b15-10+/t32-/m1/s1
chemicalCompound:standardIn...	UCHDWCPVSPXUMX-TZIWLTJVSA-N
chemicalCompound:canonicalS...	CC(C)(O)c1ccccc1CC[C@@H](SCC2(CC(=O)O)CC2)c3cccc(\C=C\c4ccc5ccc(Cl)cc5n4)c3
chemicalCompound:molecularF...	C35H36ClNO3S
chemicalCompound:moleculeId	47447
chemicalCompound:mwFreebase	586.183
chemicalCompound:alogp	8.284
chemicalCompound:hba	5
chemicalCompound:hbd	2
chemicalCompound:psa	95.72
chemicalCompound:rtb	12
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	2
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	4.758
chemicalCompound:acdLogP	5.809
chemicalCompound:acdLogD	3.199
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	586.183
chemicalCompound:acdMostBpk...	2.224
chemicalCompound:chemblId	CHEMBL787
chemicalCompound:maxPhase	4
chemicalCompound:therapeuti...	1
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:147447
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	MONTELUKAST
chemicalCompound:chebiParen...	https://linkedlifedata.com/resource/chebi/id/CHEBI:50730
chemicalCompound:firstAppro...	1998
chemicalCompound:activity	activity:106797, activity:106798, activity:106799, activity:177414, activity:582881, activity:958574, activity:958575, activity:958576, activity:1072619, activity:1072620, activity:1072621, activity:1072622, activity:1072623, activity:1072624, activity:1072625, activity:1072626, activity:2060118, activity:2302554, activity:2303674, activity:2672120, activity:2672121, activity:2690218, activity:2690223, activity:2690230, activity:2690241, activity:2990395, activity:2990452, activity:2990716, activity:2993305, activity:2993364, activity:2993398, activity:2994634, activity:2994641, activity:2996250, activity:3408489, activity:3408494, activity:3408575, activity:5079704, activity:5079945, activity:5080550, activity:5082115, activity:5082347, activity:5084228, activity:5316078, activity:5316079, activity:5316695, activity:5317605, activity:5318556, activity:5319507, activity:6074594, activity:7760733, activity:7760734, activity:7760735, activity:7760736, activity:7760737, activity:7760738, activity:7760739, activity:7760740