84258

Source:http://linkedlifedata.com/resource/chembl/compound/84258

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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/C20H18N6O6S2/c1-2-4-25-5-3-9(16(25)28)6-10-7-33-18-13(17(29)26(18)14(10)19(30)31)23-15(27)12(24-32)11-8-34-20(21)22-11/h1,6,8,13,18,32H,3-5,7H2,(H2,21,22)(H,23,27)(H,30,31)/b9-6+,24-12-/t13-,18-/m1/s1
chemicalCompound:standardIn...	RRZPSGPWCPFGGI-DYLWKRCFSA-N
chemicalCompound:canonicalS...	Nc1nc(cs1)\C(=N\O)\C(=O)N[C@H]2[C@H]3SCC(=C(N3C2=O)C(=O)O)\C=C\4/CCN(CC#C)C4=O
chemicalCompound:molecularF...	C20 H18 N6 O6 S2
chemicalCompound:moleculeId	84258
chemicalCompound:mwFreebase	502.523
chemicalCompound:alogp	0.386
chemicalCompound:hba	10
chemicalCompound:hbd	4
chemicalCompound:psa	232.05
chemicalCompound:rtb	6
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	2.476
chemicalCompound:acdLogP	-1.332
chemicalCompound:acdLogD	-5.347
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	502.523
chemicalCompound:acdMostBpk...	2.027
chemicalCompound:chemblId	CHEMBL54607
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:184258
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:146457, activity:146458, activity:146459, activity:146460, activity:146461, activity:146462, activity:146463, activity:146464, activity:146465