529477

Source:http://linkedlifedata.com/resource/chembl/compound/529477

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Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:parent	chemicalCompound:1313
chemicalCompound:standardIn...	InChI=1S/C21H25ClN6O2.C2H6O3S/c1-21(2)26-19(23)25-20(24)28(21)15-8-9-17(16(22)11-15)30-12-13-6-5-7-14(10-13)18(29)27(3)4;1-2-6(3,4)5/h5-11H,12H2,1-4H3,(H4,23,24,25,26);2H2,1H3,(H,3,4,5)
chemicalCompound:standardIn...	HKPVIFTWECXNPY-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CCS(=O)(=O)O.CN(C)C(=O)c1cccc(COc2ccc(cc2Cl)N3C(=NC(=NC3(C)C)N)N)c1
chemicalCompound:molecularF...	C23H31ClN6O5S
chemicalCompound:moleculeId	529477
chemicalCompound:mwFreebase	428.915
chemicalCompound:alogp	2.604
chemicalCompound:hba	7
chemicalCompound:hbd	2
chemicalCompound:psa	109.54
chemicalCompound:rtb	5
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	0.746
chemicalCompound:acdLogD	-0.926
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	539.047
chemicalCompound:acdMostBpk...	9.336
chemicalCompound:chemblId	CHEMBL587564
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:629477
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:2811831, activity:2815183, activity:2833133, activity:2843524, activity:2860112, activity:2867366, activity:8240517, activity:8260714, activity:8330030, activity:8354337, activity:8404199, activity:8433457, activity:8448494, activity:8495226, activity:8512877, activity:8532909, activity:8591537, activity:8603001, activity:8609429, activity:8690473, activity:8776647, activity:8779150, activity:8806903, activity:8809022, activity:8907599, activity:8932391, activity:8975400, activity:8991224, activity:9015696, activity:9025490, activity:9105678, activity:9112394, activity:9160169, activity:9188113, activity:9217463, activity:9291796, activity:9301945, activity:9314405, activity:9325034, activity:9375070, activity:9447522, activity:9458760, activity:9521599, activity:9539706, activity:9542293, activity:9632405, activity:9689599, activity:9711643, activity:9753883, activity:9781285, activity:9820638, activity:9891765, activity:9929766, activity:9963222, activity:9983130, activity:10032985, activity:10049247, activity:10082744, activity:10170228, activity:10180788, activity:10212562, activity:10254057, activity:10260893, activity:10289287, activity:10298143, activity:10372392