622126

Source:http://linkedlifedata.com/resource/chembl/compound/622126

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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/C22H27ClO5S/c1-3-12-4-6-13(7-5-12)8-14-9-15(17(28-2)10-16(14)23)22-21(27)20(26)19(25)18(11-24)29-22/h4-7,9-10,18-22,24-27H,3,8,11H2,1-2H3/t18-,19-,20+,21-,22+/m1/s1
chemicalCompound:standardIn...	ZCUPHXMNGVNWAQ-BDHVOXNPSA-N
chemicalCompound:canonicalS...	CCc1ccc(Cc2cc([C@@H]3S[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(OC)cc2Cl)cc1
chemicalCompound:molecularF...	C22H27ClO5S
chemicalCompound:moleculeId	622126
chemicalCompound:mwFreebase	438.965
chemicalCompound:alogp	3.748
chemicalCompound:hba	6
chemicalCompound:hbd	4
chemicalCompound:psa	115.45
chemicalCompound:rtb	6
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	13.132
chemicalCompound:acdLogP	5.782
chemicalCompound:acdLogD	5.782
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	438.965
chemicalCompound:chemblId	CHEMBL1090786
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:722126
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:3257508, activity:3257514, activity:3257520, activity:3257525, activity:3257545, activity:3257565, activity:3257602, activity:3257609