680280

Source:http://linkedlifedata.com/resource/chembl/compound/680280

Download in:

Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
chemicalCompound:standardIn...	InChI=1S/C23H26ClNO5S2/c1-16(2)17-6-12-21-18(15-23(32(28,29)30)22(21)13-7-17)5-3-4-14-25-31(26,27)20-10-8-19(24)9-11-20/h6-13,15-16,25H,3-5,14H2,1-2H3,(H,28,29,30)
chemicalCompound:standardIn...	ONMQCKPUEFDWIX-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CC(C)c1ccc2c(CCCCNS(=O)(=O)c3ccc(Cl)cc3)cc(c2cc1)S(=O)(=O)O
chemicalCompound:molecularF...	C23H26ClNO5S2
chemicalCompound:moleculeId	680280
chemicalCompound:mwFreebase	496.039
chemicalCompound:alogp	5.657
chemicalCompound:hba	5
chemicalCompound:hbd	2
chemicalCompound:psa	117.3
chemicalCompound:rtb	9
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	N
chemicalCompound:acdLogP	3.858
chemicalCompound:fullMwt	496.039
chemicalCompound:chemblId	CHEMBL1206329
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:780280
chemicalCompound:moleculeTy...	moleculeType:Small molecule
chemicalCompound:oral	No
chemicalCompound:parenteral	No
chemicalCompound:topical	No
chemicalCompound:blackBoxWa...	No
chemicalCompound:naturalPro...	No
chemicalCompound:proDrug	No