72744

Source:http://linkedlifedata.com/resource/chembl/compound/72744

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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/C23H30N4O4S2/c1-23(2,3)18-10-25-20(31-18)14-32-21-11-26-22(33-21)27-19(30)8-15-4-6-16(7-5-15)9-24-17(12-28)13-29/h4-7,10-11,17,24,28-29H,8-9,12-14H2,1-3H3,(H,26,27,30)
chemicalCompound:standardIn...	FDWQSLRDIBRKEI-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CC(C)(C)c1oc(CSc2cnc(NC(=O)Cc3ccc(CNC(CO)CO)cc3)s2)nc1
chemicalCompound:molecularF...	C23 H30 N4 O4 S2
chemicalCompound:moleculeId	72744
chemicalCompound:mwFreebase	490.639
chemicalCompound:alogp	2.166
chemicalCompound:hba	7
chemicalCompound:hbd	4
chemicalCompound:psa	174.05
chemicalCompound:rtb	12
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	8.689
chemicalCompound:acdLogP	1.92
chemicalCompound:acdLogD	1.314
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	490.639
chemicalCompound:acdMostBpk...	7.534
chemicalCompound:chemblId	CHEMBL300936
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:172744
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:161201, activity:161202, activity:161203, activity:161204, activity:161205, activity:161206, activity:161207, activity:161208, activity:161209, activity:161210, activity:161211, activity:161212, activity:161213, activity:161214, activity:161215, activity:161216, activity:161217, activity:161218, activity:161219, activity:161220, activity:161221, activity:161222, activity:161223, activity:161224, activity:161225, activity:161226, activity:161227, activity:161228, activity:161229, activity:161230, activity:161231, activity:161232, activity:161233, activity:161234, activity:161235, activity:161236, activity:161237, activity:161238, activity:161239, activity:161240, activity:586922, activity:586923, activity:586924, activity:586925, activity:586926, activity:586927, activity:586928, activity:586929, activity:586930, activity:586931, activity:586932, activity:586933, activity:586934