622055

Source:http://linkedlifedata.com/resource/chembl/compound/622055

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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/C21H25ClO4S/c1-2-12-3-5-13(6-4-12)9-15-10-14(7-8-16(15)22)21-20(26)19(25)18(24)17(11-23)27-21/h3-8,10,17-21,23-26H,2,9,11H2,1H3/t17-,18-,19+,20-,21+/m1/s1
chemicalCompound:standardIn...	QRZLMTHXVLKGAR-ADAARDCZSA-N
chemicalCompound:canonicalS...	CCc1ccc(Cc2cc(ccc2Cl)[C@@H]3S[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc1
chemicalCompound:molecularF...	C21H25ClO4S
chemicalCompound:moleculeId	622055
chemicalCompound:mwFreebase	408.939
chemicalCompound:alogp	3.764
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	5.308
chemicalCompound:acdLogD	5.308
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	408.939
chemicalCompound:chemblId	CHEMBL1090822
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:722055
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:3257532, activity:3257552, activity:3257572