499603

Source:http://linkedlifedata.com/resource/chembl/compound/499603

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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/C23H20N4O5S/c1-31-18-4-2-16(3-5-18)15-27-21-7-6-19(33(29,30)26-8-10-32-11-9-26)12-20(21)22(23(27)28)17(13-24)14-25/h2-7,12H,8-11,15H2,1H3
chemicalCompound:standardIn...	XIKRWCLJHIQAON-UHFFFAOYSA-N
chemicalCompound:canonicalS...	COc1ccc(CN2C(=O)C(=C(C#N)C#N)c3cc(ccc23)S(=O)(=O)N4CCOCC4)cc1
chemicalCompound:molecularF...	C23H20N4O5S
chemicalCompound:moleculeId	499603
chemicalCompound:mwFreebase	464.494
chemicalCompound:alogp	1.508
chemicalCompound:hba	7
chemicalCompound:hbd	0
chemicalCompound:psa	132.1
chemicalCompound:rtb	5
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	2.982
chemicalCompound:acdLogD	2.982
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	464.494
chemicalCompound:chemblId	CHEMBL492061
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:599603
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:2402485, activity:2402516, activity:2402521, activity:2402528, activity:2402551