474928

Source:http://linkedlifedata.com/resource/chembl/compound/474928

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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/C27H24ClFN4O3S3/c1-39(34,35)8-7-30-13-21-10-18(15-37-21)25-12-22-26(31-16-32-27(22)38-25)33-20-5-6-24(23(28)11-20)36-14-17-3-2-4-19(29)9-17/h2-6,9-12,15-16,30H,7-8,13-14H2,1H3,(H,31,32,33)
chemicalCompound:standardIn...	NXPQOKLTKBGJEH-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CS(=O)(=O)CCNCc1cc(cs1)c2cc3c(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)ncnc3s2
chemicalCompound:molecularF...	C27H24ClFN4O3S3
chemicalCompound:moleculeId	474928
chemicalCompound:mwFreebase	603.151
chemicalCompound:alogp	6.323
chemicalCompound:hba	7
chemicalCompound:hbd	2
chemicalCompound:psa	158.07
chemicalCompound:rtb	11
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	2
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	5.052
chemicalCompound:acdLogD	4.998
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	603.151
chemicalCompound:acdMostBpk...	6.506
chemicalCompound:chemblId	CHEMBL475599
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:574928
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:2489188, activity:2489212, activity:8092385, activity:8092386, activity:8092387, activity:8092388, activity:8092389, activity:8092390, activity:8092391, activity:8092392, activity:8092393, activity:8092394, activity:8092395, activity:8092396, activity:8092397, activity:8092398, activity:8092399, activity:8092400, activity:8092401, activity:8092402, activity:8092403, activity:8092404, activity:8092405, activity:8092406, activity:8092407, activity:8092408, activity:8092409, activity:8092410, activity:8092411, activity:8092412, activity:8092413, activity:8092414, activity:8092415, activity:8092416, activity:8092417, activity:8092418, activity:8092419, activity:8092420, activity:8092421, activity:8092422, activity:8092423, activity:8092424, activity:8092425, activity:8092426, activity:8092427, activity:8092428, activity:8092429, activity:8092430, activity:8092431, activity:8092432, activity:8092433, activity:8092434, activity:8092435, activity:8092436, activity:8092437, activity:8092438, activity:8092439, activity:8092440, activity:8092441, activity:8092442, activity:8092443, activity:8092444, activity:8092445, activity:8092446, activity:8092447, activity:8092448, activity:8092449