660495

Source:http://linkedlifedata.com/resource/chembl/compound/660495

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Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
chemicalCompound:standardIn...	InChI=1S/C23H21FN4O3S/c1-13-10-14(2)28(15(3)11-13)27-23(29)22-21(17-6-4-5-7-19(17)24)18-12-16(32(25,30)31)8-9-20(18)26-22/h4-12H,1-3H3,(H3-,25,26,27,29,30,31)/p+1
chemicalCompound:standardIn...	IOCQUYQFGCLDTM-UHFFFAOYSA-O
chemicalCompound:canonicalS...	Cc1cc(C)[n+](NC(=O)c2[nH]c3ccc(cc3c2c4ccccc4F)S(=O)(=O)N)c(C)c1
chemicalCompound:molecularF...	C23H22FN4O3S
chemicalCompound:moleculeId	660495
chemicalCompound:mwFreebase	453.509
chemicalCompound:alogp	4.059
chemicalCompound:hba	3
chemicalCompound:hbd	3
chemicalCompound:psa	117.31
chemicalCompound:rtb	4
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	5.662
chemicalCompound:acdLogP	1.099
chemicalCompound:acdLogD	0.243
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	453.509
chemicalCompound:chemblId	CHEMBL1186545
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:760495
chemicalCompound:moleculeTy...	moleculeType:Small molecule
chemicalCompound:oral	No
chemicalCompound:parenteral	No
chemicalCompound:topical	No
chemicalCompound:blackBoxWa...	No
chemicalCompound:naturalPro...	No
chemicalCompound:proDrug	No