205624

Source:http://linkedlifedata.com/resource/chembl/compound/205624

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/C25H31N3O8S2/c1-4-13(2)20(26)24(31)28-38(32,33)35-11-19-21(29)22(30)23(36-19)25-27-18(12-37-25)16-6-5-15-10-17(34-3)8-7-14(15)9-16/h5-10,12-13,19-23,29-30H,4,11,26H2,1-3H3,(H,28,31)/t13?,19-,20+,21-,22-,23-/m1/s1
chemicalCompound:standardIn...	WCVCPXUETPTILF-LFBGXFJISA-N
chemicalCompound:canonicalS...	CCC(C)[C@H](N)C(=O)NS(=O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)c2nc(cs2)c3ccc4cc(OC)ccc4c3
chemicalCompound:molecularF...	C25 H31 N3 O8 S2
chemicalCompound:moleculeId	205624
chemicalCompound:mwFreebase	565.659
chemicalCompound:alogp	1.517
chemicalCompound:hba	10
chemicalCompound:hbd	4
chemicalCompound:psa	206.91
chemicalCompound:rtb	10
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	1.3
chemicalCompound:acdLogP	1.934
chemicalCompound:acdLogD	-0.43
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	565.659
chemicalCompound:acdMostBpk...	8.052
chemicalCompound:chemblId	CHEMBL340359
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:305624
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:271642, activity:271643, activity:271644, activity:271645