622057

Source:http://linkedlifedata.com/resource/chembl/compound/622057

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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/C23H29ClO4S/c1-23(2,3)16-7-4-13(5-8-16)10-15-11-14(6-9-17(15)24)22-21(28)20(27)19(26)18(12-25)29-22/h4-9,11,18-22,25-28H,10,12H2,1-3H3/t18-,19-,20+,21-,22+/m1/s1
chemicalCompound:standardIn...	BXNCZSLAPQETHQ-BDHVOXNPSA-N
chemicalCompound:canonicalS...	CC(C)(C)c1ccc(Cc2cc(ccc2Cl)[C@@H]3S[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc1
chemicalCompound:molecularF...	C23H29ClO4S
chemicalCompound:moleculeId	622057
chemicalCompound:mwFreebase	436.992
chemicalCompound:alogp	4.222
chemicalCompound:hba	5
chemicalCompound:hbd	4
chemicalCompound:psa	106.22
chemicalCompound:rtb	5
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	13.169
chemicalCompound:acdLogP	5.976
chemicalCompound:acdLogD	5.976
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	436.992
chemicalCompound:chemblId	CHEMBL1093013
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:722057
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:3257530, activity:3257550, activity:3257570