440715

Source:http://linkedlifedata.com/resource/chembl/compound/440715

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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/C21H21N7O4S/c22-33(31,32)16-5-3-15(4-6-16)26-27-19-17-12-14(2-7-18(17)25-21(19)30)20(29)24-8-1-10-28-11-9-23-13-28/h2-7,9,11-13,26H,1,8,10H2,(H,24,29)(H2,22,31,32)(H,25,27,30)
chemicalCompound:standardIn...	ADGOSWMTFHSWDE-UHFFFAOYSA-N
chemicalCompound:canonicalS...	NS(=O)(=O)c1ccc(N\N=C\2/C(=O)Nc3ccc(cc23)C(=O)NCCCn4ccnc4)cc1
chemicalCompound:molecularF...	C21H21N7O4S
chemicalCompound:moleculeId	440715
chemicalCompound:mwFreebase	467.501
chemicalCompound:alogp	0.247
chemicalCompound:hba	7
chemicalCompound:hbd	4
chemicalCompound:psa	168.95
chemicalCompound:rtb	8
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	8.586
chemicalCompound:acdLogP	0.787
chemicalCompound:acdLogD	0.627
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	467.501
chemicalCompound:acdMostBpk...	6.951
chemicalCompound:chemblId	CHEMBL272026
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:540715
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:1150277, activity:1150278, activity:2110776, activity:2110836, activity:8083095, activity:8083096, activity:8083097, activity:8083098, activity:8083099, activity:8083100, activity:8083101, activity:8083102, activity:8083103, activity:8083104, activity:8083105, activity:8083106, activity:8083107, activity:8083108, activity:8083109, activity:8083110, activity:8083111, activity:8083112, activity:8083113, activity:8083114, activity:8083115, activity:8083116, activity:8083117, activity:8083118, activity:8083119, activity:8083120, activity:8083121, activity:8083122, activity:8083123, activity:8083124, activity:8083125, activity:8083126, activity:8083127, activity:8083128, activity:8083129, activity:8083130, activity:8083131, activity:8083132, activity:8083133, activity:8083134, activity:8083135, activity:8083136, activity:8083137, activity:8083138, activity:8083139, activity:8083140, activity:8083141, activity:8083142, activity:8083143, activity:8083144, activity:8083145, activity:8083146, activity:8083147, activity:8083148, activity:8083149, activity:8083150, activity:8083151, activity:8083152, activity:8083153, activity:8083154, activity:8083155, activity:8083156