33006

Source:http://linkedlifedata.com/resource/chembl/compound/33006

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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/C23H23ClN2O2S/c1-15(27)28-21-19-13-12-17(14-25(2)3)26(19)20-11-7-10-18(24)23(20)29-22(21)16-8-5-4-6-9-16/h4-13,21-22H,14H2,1-3H3/t21-,22-/m0/s1
chemicalCompound:standardIn...	JGXAGHYDVHPDLO-VXKWHMMOSA-N
chemicalCompound:canonicalS...	CN(C)Cc1ccc2[C@H](OC(=O)C)[C@@H](Sc3c(Cl)cccc3n12)c4ccccc4
chemicalCompound:molecularF...	C23 H23 Cl N2 O2 S
chemicalCompound:moleculeId	33006
chemicalCompound:mwFreebase	426.959
chemicalCompound:alogp	5.482
chemicalCompound:hba	4
chemicalCompound:hbd	0
chemicalCompound:psa	59.77
chemicalCompound:rtb	5
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	5.928
chemicalCompound:acdLogD	4.252
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	426.959
chemicalCompound:acdMostBpk...	9.083
chemicalCompound:chemblId	CHEMBL284195
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:133006
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:730468