259

Source:http://linkedlifedata.com/resource/chembl/compound/259

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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/C20H20F2N4O3S/c1-2-23-8-11-3-5-25(9-11)17-14(21)7-12-16(15(17)22)26(20-24-4-6-30-20)10-13(18(12)27)19(28)29/h4,6-7,10-11,23H,2-3,5,8-9H2,1H3,(H,28,29)
chemicalCompound:standardIn...	MAVIDMIMQVTJOW-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CCNCC1CCN(C1)c2c(F)cc3C(=O)C(=CN(c4nccs4)c3c2F)C(=O)O
chemicalCompound:molecularF...	C20 H20 F2 N4 O3 S
chemicalCompound:moleculeId	259
chemicalCompound:mwFreebase	434.46
chemicalCompound:alogp	-0.97
chemicalCompound:hba	7
chemicalCompound:hbd	2
chemicalCompound:psa	114.01
chemicalCompound:rtb	6
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	5.688
chemicalCompound:acdLogP	2.371
chemicalCompound:acdLogD	-0.134
chemicalCompound:molecularS...	molecularSpecies:ZWITTERION
chemicalCompound:fullMwt	434.46
chemicalCompound:acdMostBpk...	10.449
chemicalCompound:chemblId	CHEMBL6299
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:100259
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:33177, activity:33178, activity:33179, activity:33180, activity:33181, activity:33182, activity:33183, activity:33184, activity:33185, activity:33186, activity:33187, activity:33188, activity:33189, activity:33190