822516

Source:http://linkedlifedata.com/resource/chembl/compound/822516

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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/C18H18N4O3S/c1-12-8-10-13(11-9-12)17(23)21-18(20(2)3)22-16(19-21)14-6-4-5-7-15(14)26(22,24)25/h4-11,18H,1-3H3/t18-/m0/s1
chemicalCompound:standardIn...	FPBUZWJLOHSAGN-SFHVURJKSA-N
chemicalCompound:canonicalS...	CN(C)[C@H]1N(N=C2N1S(=O)(=O)c3ccccc23)C(=O)c4ccc(C)cc4
chemicalCompound:molecularF...	C18H18N4O3S
chemicalCompound:moleculeId	822516
chemicalCompound:mwFreebase	370.426
chemicalCompound:alogp	3.083
chemicalCompound:hba	5
chemicalCompound:hbd	0
chemicalCompound:psa	81.67
chemicalCompound:rtb	2
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	3.261
chemicalCompound:acdLogD	3.261
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	370.426
chemicalCompound:acdMostBpk...	2.89
chemicalCompound:chemblId	CHEMBL1398632
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:922516
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:3701164, activity:6562722