154

Source:http://linkedlifedata.com/resource/chembl/compound/154

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Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:standardIn...	InChI=1S/C36H38F4N4O2S/c1-3-42(4-2)20-21-43(22-25-8-12-27(13-9-25)28-14-16-29(17-15-28)36(38,39)40)33(45)23-44-32-7-5-6-31(32)34(46)41-35(44)47-24-26-10-18-30(37)19-11-26/h8-19H,3-7,20-24H2,1-2H3
chemicalCompound:standardIn...	WDPFJWLDPVQCAJ-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CCN(CC)CCN(Cc1ccc(cc1)c2ccc(cc2)C(F)(F)F)C(=O)CN3C4=C(CCC4)C(=O)N=C3SCc5ccc(F)cc5
chemicalCompound:molecularF...	C36 H38 F4 N4 O2 S
chemicalCompound:moleculeId	154
chemicalCompound:mwFreebase	666.771
chemicalCompound:alogp	7.707
chemicalCompound:hba	6
chemicalCompound:hbd	0
chemicalCompound:psa	81.52
chemicalCompound:rtb	14
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	2
chemicalCompound:medChemFri...	N
chemicalCompound:acdLogP	5.115
chemicalCompound:acdLogD	3.593
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	666.771
chemicalCompound:acdMostBpk...	9.027
chemicalCompound:chemblId	CHEMBL204021
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:100154
chemicalCompound:moleculeTy...	moleculeType:Small molecule
chemicalCompound:oral	No
chemicalCompound:parenteral	No
chemicalCompound:topical	No
chemicalCompound:blackBoxWa...	No
chemicalCompound:naturalPro...	No
chemicalCompound:proDrug	No
chemicalCompound:prefName	DARAPLADIB
chemicalCompound:activity	activity:132013, activity:132014, activity:132015, activity:132016, activity:132017, activity:132018, activity:132019, activity:132020, activity:132021, activity:132022, activity:132023, activity:132024, activity:132025, activity:132026