711980

Source:http://linkedlifedata.com/resource/chembl/compound/711980

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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/C31H26N8O7S2/c1-3-46-29(43)23-25(28(42)33-30-36-37-31(47-30)48(32,44)45)38-39(26(23)19-11-6-4-7-12-19)22-16-10-15-21(17-22)34-35-24(18(2)40)27(41)20-13-8-5-9-14-20/h4-17,34H,3H2,1-2H3,(H2,32,44,45)(H,33,36,42)/b35-24+
chemicalCompound:standardIn...	XPTKRUAPMUPOHI-JWHWKPFMSA-N
chemicalCompound:canonicalS...	CCOC(=O)c1c(nn(c2cccc(N\N=C(/C(=O)C)\C(=O)c3ccccc3)c2)c1c4ccccc4)C(=O)Nc5nnc(s5)S(=O)(=O)N
chemicalCompound:molecularF...	C31H26N8O7S2
chemicalCompound:moleculeId	711980
chemicalCompound:mwFreebase	686.718
chemicalCompound:alogp	4.356
chemicalCompound:hba	12
chemicalCompound:hbd	3
chemicalCompound:psa	254.31
chemicalCompound:rtb	13
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	2
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	4.755
chemicalCompound:acdLogP	2.994
chemicalCompound:acdLogD	0
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	686.718
chemicalCompound:chemblId	CHEMBL1276018
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:811980
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:3533520, activity:3533533, activity:3533546, activity:3533559, activity:3533572, activity:3533585