496699

Source:http://linkedlifedata.com/resource/chembl/compound/496699

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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/C27H35N3O5S2/c1-4-21(31)10-13-27(33)29-24(14-20-8-6-5-7-9-20)25(32)17-30(16-19(2)3)37(34,35)22-11-12-23-26(15-22)36-18-28-23/h5-9,11-12,15,18-19,24-25,32H,4,10,13-14,16-17H2,1-3H3,(H,29,33)/t24-,25+/m0/s1
chemicalCompound:standardIn...	GNZXXRFDKOJBFR-LOSJGSFVSA-N
chemicalCompound:canonicalS...	CCC(=O)CCC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN(CC(C)C)S(=O)(=O)c2ccc3ncsc3c2
chemicalCompound:molecularF...	C27H35N3O5S2
chemicalCompound:moleculeId	496699
chemicalCompound:mwFreebase	545.714
chemicalCompound:alogp	3.45
chemicalCompound:hba	6
chemicalCompound:hbd	2
chemicalCompound:psa	153.29
chemicalCompound:rtb	14
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	13.439
chemicalCompound:acdLogP	3.6
chemicalCompound:acdLogD	3.6
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	545.714
chemicalCompound:chemblId	CHEMBL459101
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:596699
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:2496834, activity:2496935