622054

Source:http://linkedlifedata.com/resource/chembl/compound/622054

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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/C20H23ClO4S/c1-11-2-4-12(5-3-11)8-14-9-13(6-7-15(14)21)20-19(25)18(24)17(23)16(10-22)26-20/h2-7,9,16-20,22-25H,8,10H2,1H3/t16-,17-,18+,19-,20+/m1/s1
chemicalCompound:standardIn...	QQACZFXUTHECAN-OBKDMQGPSA-N
chemicalCompound:canonicalS...	Cc1ccc(Cc2cc(ccc2Cl)[C@@H]3S[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc1
chemicalCompound:molecularF...	C20H23ClO4S
chemicalCompound:moleculeId	622054
chemicalCompound:mwFreebase	394.912
chemicalCompound:alogp	3.308
chemicalCompound:hba	5
chemicalCompound:hbd	4
chemicalCompound:psa	106.22
chemicalCompound:rtb	4
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	13.169
chemicalCompound:acdLogP	4.798
chemicalCompound:acdLogD	4.798
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	394.912
chemicalCompound:chemblId	CHEMBL1090821
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:722054
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:3257533, activity:3257553, activity:3257573