593046

Source:http://linkedlifedata.com/resource/chembl/compound/593046

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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/C26H24N4OS/c1-17-23-12-19(7-8-25(23)30-29-17)24-13-22(14-28-26(24)20-9-10-32-16-20)31-15-21(27)11-18-5-3-2-4-6-18/h2-10,12-14,16,21H,11,15,27H2,1H3,(H,29,30)/t21-/m0/s1
chemicalCompound:standardIn...	VPHOSYHDFSVNET-NRFANRHFSA-N
chemicalCompound:canonicalS...	Cc1n[nH]c2ccc(cc12)c3cc(OC[C@@H](N)Cc4ccccc4)cnc3c5ccsc5
chemicalCompound:molecularF...	C26H24N4OS
chemicalCompound:moleculeId	593046
chemicalCompound:mwFreebase	440.56
chemicalCompound:alogp	4.821
chemicalCompound:hba	4
chemicalCompound:hbd	2
chemicalCompound:psa	105.05
chemicalCompound:rtb	7
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	13.371
chemicalCompound:acdLogP	2.372
chemicalCompound:acdLogD	2.171
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	440.56
chemicalCompound:acdMostBpk...	7.278
chemicalCompound:chemblId	CHEMBL604060
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:693046
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:3075706, activity:3075732