57551

Source:http://linkedlifedata.com/resource/chembl/compound/57551

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Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:synonym	synonym:57551_L-162313_RESEARCH_CODE
chemicalCompound:standardIn...	InChI=1S/C30H38N4O4S2/c1-7-9-14-38-30(35)33-40(36,37)29-25(17-24(39-29)15-19(3)4)23-12-10-22(11-13-23)18-34-26(8-2)32-27-20(5)16-21(6)31-28(27)34/h10-13,16-17,19H,7-9,14-15,18H2,1-6H3,(H,33,35)
chemicalCompound:standardIn...	RINPELQWLUGERM-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CCCCOC(=O)NS(=O)(=O)c1sc(CC(C)C)cc1c2ccc(Cn3c(CC)nc4c(C)cc(C)nc34)cc2
chemicalCompound:molecularF...	C30H38N4O4S2
chemicalCompound:moleculeId	57551
chemicalCompound:mwFreebase	582.777
chemicalCompound:alogp	7.372
chemicalCompound:hba	6
chemicalCompound:hbd	1
chemicalCompound:psa	139.8
chemicalCompound:rtb	12
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	2
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	4.322
chemicalCompound:acdLogP	6.436
chemicalCompound:acdLogD	4.451
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	582.777
chemicalCompound:acdMostBpk...	6.289
chemicalCompound:chemblId	CHEMBL288174
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:157551
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:874773, activity:874774, activity:874775, activity:874776, activity:874777, activity:1064709, activity:1064710, activity:1488235, activity:1488236, activity:1488237, activity:1488238, activity:1488239, activity:2572409, activity:2572434, activity:3344779, activity:3344780, activity:3484585, activity:3484673, activity:3484759, activity:3484904, activity:3485690, activity:3485778, activity:3492325, activity:3634924, activity:3666191, activity:3671906, activity:3693415, activity:3696299, activity:3696457, activity:3779409, activity:3896407, activity:3911636, activity:3974074, activity:4005264, activity:4016247, activity:4042328, activity:4069594, activity:4132607, activity:4279388, activity:4358710, activity:4412958, activity:4452051, activity:4519376, activity:4536157, activity:4538993, activity:4566546, activity:4585188, activity:4585793, activity:4659479, activity:4689343, activity:4699645, activity:4715457, activity:4750022, activity:4803508, activity:4809368, activity:4856424, activity:4882609, activity:4885262, activity:4937955, activity:4970492, activity:4978101, activity:5010033, activity:5065126, activity:5069444, activity:5070379