366660

Source:http://linkedlifedata.com/resource/chembl/compound/366660

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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/C23H22F3NO3S/c1-14-19(31-20(27-14)16-7-9-17(10-8-16)23(24,25)26)13-6-15-4-11-18(12-5-15)30-22(2,3)21(28)29/h4-5,7-12H,6,13H2,1-3H3,(H,28,29)
chemicalCompound:standardIn...	QRZPWWLJHFQSNO-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Cc1nc(sc1CCc2ccc(OC(C)(C)C(=O)O)cc2)c3ccc(cc3)C(F)(F)F
chemicalCompound:molecularF...	C23 H22 F3 N O3 S
chemicalCompound:moleculeId	366660
chemicalCompound:mwFreebase	449.486
chemicalCompound:alogp	5.997
chemicalCompound:hba	4
chemicalCompound:hbd	1
chemicalCompound:psa	87.66
chemicalCompound:rtb	8
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	3.295
chemicalCompound:acdLogP	4.954
chemicalCompound:acdLogD	1.363
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	449.486
chemicalCompound:acdMostBpk...	2.376
chemicalCompound:chemblId	CHEMBL218687
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:466660
chemicalCompound:moleculeTy...	moleculeType:Small molecule
chemicalCompound:oral	No
chemicalCompound:parenteral	No
chemicalCompound:topical	No
chemicalCompound:blackBoxWa...	No
chemicalCompound:naturalPro...	No
chemicalCompound:proDrug	No
chemicalCompound:activity	activity:1814013, activity:1814015, activity:1814017, activity:1814019, activity:1814021, activity:1814023