723386

Source:http://linkedlifedata.com/resource/chembl/compound/723386

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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/C18H13FN2O3S/c1-24-14-8-2-11(3-9-14)10-15-16(22)20-18(25)21(15)17(23)12-4-6-13(19)7-5-12/h2-10H,1H3,(H,20,22,25)/b15-10+
chemicalCompound:standardIn...	KSNHDRRAQDAVSU-XNTDXEJSSA-N
chemicalCompound:canonicalS...	COc1ccc(\C=C/2\N(C(=O)c3ccc(F)cc3)C(=S)NC2=O)cc1
chemicalCompound:molecularF...	C18H13FN2O3S
chemicalCompound:moleculeId	723386
chemicalCompound:mwFreebase	356.371
chemicalCompound:alogp	3.479
chemicalCompound:hba	4
chemicalCompound:hbd	1
chemicalCompound:psa	90.73
chemicalCompound:rtb	3
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	7.997
chemicalCompound:acdLogP	2.49
chemicalCompound:acdLogD	2.393
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	356.371
chemicalCompound:chemblId	CHEMBL1299502
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:823386
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:3629591, activity:3673618, activity:3737540, activity:3768272, activity:3934554, activity:3956135, activity:3996278, activity:4011654, activity:4082889, activity:4359416, activity:4541482, activity:4591846, activity:4604695, activity:4769508, activity:4851802, activity:4909965, activity:4914726, activity:5358296, activity:5501067, activity:5520095, activity:5531458, activity:5573735, activity:5694571, activity:5708801, activity:5790787, activity:5963688, activity:6470470, activity:6555586, activity:6732052, activity:6744805, activity:6996231, activity:7067590, activity:7254877, activity:7286953, activity:7388424, activity:7501826, activity:9786839, activity:10423208, activity:10547584