223867

Source:http://linkedlifedata.com/resource/chembl/compound/223867

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/C21H37N7O6S2/c1-13(2)11-15(17(14(3)4)28(32)12-29)18(30)25-16(19(31)26-21-24-9-10-35-21)7-6-8-23-20(22)27-36(5,33)34/h9-10,12-17,32H,6-8,11H2,1-5H3,(H,25,30)(H3,22,23,27)(H,24,26,31)/t15-,16+,17+/m1/s1
chemicalCompound:standardIn...	YBQLENDMILTZBB-IKGGRYGDSA-N
chemicalCompound:canonicalS...	CC(C)C[C@H]([C@H](C(C)C)N(O)C=O)C(=O)N[C@@H](CCC\N=C(\N)/NS(=O)(=O)C)C(=O)Nc1nccs1
chemicalCompound:molecularF...	C21 H37 N7 O6 S2
chemicalCompound:moleculeId	223867
chemicalCompound:mwFreebase	547.692
chemicalCompound:alogp	0.691
chemicalCompound:hba	9
chemicalCompound:hbd	5
chemicalCompound:psa	232.79
chemicalCompound:rtb	15
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	6.806
chemicalCompound:acdLogP	1.791
chemicalCompound:acdLogD	1
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	547.692
chemicalCompound:acdMostBpk...	2.453
chemicalCompound:chemblId	CHEMBL135886
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:323867
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:832818, activity:832819, activity:832820, activity:832821, activity:832822, activity:832823