276366

Source:http://linkedlifedata.com/resource/chembl/compound/276366

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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/C24H30N2O4S/c1-16(27)30-23-21(17-6-8-19(29-4)9-7-17)15-18-14-20(31-5)10-11-22(18)26(24(23)28)13-12-25(2)3/h6-11,14,21,23H,12-13,15H2,1-5H3/t21-,23+/m0/s1
chemicalCompound:standardIn...	GAUREEYKZCJLSB-JTHBVZDNSA-N
chemicalCompound:canonicalS...	COc1ccc(cc1)[C@@H]2Cc3cc(SC)ccc3N(CCN(C)C)C(=O)[C@@H]2OC(=O)C
chemicalCompound:molecularF...	C24 H30 N2 O4 S
chemicalCompound:moleculeId	276366
chemicalCompound:mwFreebase	442.571
chemicalCompound:alogp	3.545
chemicalCompound:hba	6
chemicalCompound:hbd	0
chemicalCompound:psa	84.38
chemicalCompound:rtb	8
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	4.163
chemicalCompound:acdLogD	2.786
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	442.571
chemicalCompound:acdMostBpk...	8.937
chemicalCompound:chemblId	CHEMBL423085
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:376366
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:633685, activity:633686, activity:633687, activity:633688, activity:633689