310284

Source:http://linkedlifedata.com/resource/chembl/compound/310284

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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/C22H25N7O4S/c23-7-6-16(22(32)29-10-8-24-9-11-29)27-19(30)18-5-4-17(33-18)14-2-1-3-15(12-14)26-20(31)21-28-25-13-34-21/h1-5,12-13,16,24H,6-11,23H2,(H,26,31)(H,27,30)/t16-/m1/s1
chemicalCompound:standardIn...	LEZGECTUNGUHQF-MRXNPFEDSA-N
chemicalCompound:canonicalS...	NCC[C@@H](NC(=O)c1oc(cc1)c2cccc(NC(=O)c3nncs3)c2)C(=O)N4CCNCC4
chemicalCompound:molecularF...	C22 H25 N7 O4 S
chemicalCompound:moleculeId	310284
chemicalCompound:mwFreebase	483.543
chemicalCompound:alogp	-0.578
chemicalCompound:hba	7
chemicalCompound:hbd	4
chemicalCompound:psa	183.72
chemicalCompound:rtb	8
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	9.685
chemicalCompound:acdLogP	0.01
chemicalCompound:acdLogD	-2.677
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	483.543
chemicalCompound:acdMostBpk...	9.139
chemicalCompound:chemblId	CHEMBL361060
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:410284
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:1455855, activity:1455856, activity:1455857