332763

Source:http://linkedlifedata.com/resource/chembl/compound/332763

Download in:

Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:standardIn...	InChI=1S/C27H26N2O5S2/c1-35-22-11-9-19(10-12-22)17-28-25-14-13-23(16-24(25)26(30)27(28)31)36(32,33)29-15-5-6-20(29)18-34-21-7-3-2-4-8-21/h2-4,7-14,16,20H,5-6,15,17-18H2,1H3/t20-/m0/s1
chemicalCompound:standardIn...	ZJPAUGHACIPCFI-FQEVSTJZSA-N
chemicalCompound:canonicalS...	CSc1ccc(CN2C(=O)C(=O)c3cc(ccc23)S(=O)(=O)N4CCC[C@H]4COc5ccccc5)cc1
chemicalCompound:molecularF...	C27 H26 N2 O5 S2
chemicalCompound:moleculeId	332763
chemicalCompound:mwFreebase	522.636
chemicalCompound:alogp	4.24
chemicalCompound:hba	6
chemicalCompound:hbd	0
chemicalCompound:psa	117.66
chemicalCompound:rtb	8
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	4.456
chemicalCompound:acdLogD	4.456
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	522.636
chemicalCompound:chemblId	CHEMBL200220
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:432763
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:1656555, activity:1656582, activity:1656609, activity:1656636, activity:1656663