498702

Source:http://linkedlifedata.com/resource/chembl/compound/498702

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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/C23H20N4O4S/c1-31-18-6-4-16(5-7-18)15-27-21-9-8-19(32(29,30)26-10-2-3-11-26)12-20(21)22(23(27)28)17(13-24)14-25/h4-9,12H,2-3,10-11,15H2,1H3
chemicalCompound:standardIn...	NTYVQLJOENRPJL-UHFFFAOYSA-N
chemicalCompound:canonicalS...	COc1ccc(CN2C(=O)C(=C(C#N)C#N)c3cc(ccc23)S(=O)(=O)N4CCCC4)cc1
chemicalCompound:molecularF...	C23H20N4O4S
chemicalCompound:moleculeId	498702
chemicalCompound:mwFreebase	448.494
chemicalCompound:alogp	2.281
chemicalCompound:hba	6
chemicalCompound:hbd	0
chemicalCompound:psa	122.88
chemicalCompound:rtb	5
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	3.349
chemicalCompound:acdLogD	3.349
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	448.494
chemicalCompound:chemblId	CHEMBL477659
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:598702
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:2402481, activity:2402484, activity:2402496, activity:2402524, activity:2402561