725601

Source:http://linkedlifedata.com/resource/chembl/compound/725601

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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/C24H28N4O4S/c1-17(2)16-28-21-12-5-4-11-20(21)22(24(28)30)25-26-23(29)18-9-8-10-19(15-18)33(31,32)27-13-6-3-7-14-27/h4-5,8-12,15,17,30H,3,6-7,13-14,16H2,1-2H3
chemicalCompound:standardIn...	RRRWWJGVCFXMTB-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CC(C)Cn1c(O)c(N=NC(=O)c2cccc(c2)S(=O)(=O)N3CCCCC3)c4ccccc14
chemicalCompound:molecularF...	C24H28N4O4S
chemicalCompound:moleculeId	725601
chemicalCompound:mwFreebase	468.569
chemicalCompound:alogp	5.679
chemicalCompound:hba	6
chemicalCompound:hbd	1
chemicalCompound:psa	112.71
chemicalCompound:rtb	6
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	7.746
chemicalCompound:acdLogP	5.018
chemicalCompound:acdLogD	4.856
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	468.569
chemicalCompound:chemblId	CHEMBL1301717
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:825601
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:3636088, activity:3758717, activity:3766829, activity:3795749, activity:3862526, activity:4031194, activity:4147447, activity:4713480, activity:4746888, activity:4929517, activity:4994608, activity:5366702, activity:5400068, activity:5415194, activity:5478354, activity:5656493, activity:5848935, activity:5929846, activity:6511156, activity:6598054, activity:6690132, activity:7069813, activity:7078165, activity:7172077, activity:7281110, activity:7331688, activity:7517676