Statements in which the resource exists as a subject.
PredicateObject
rdf:type
chemicalCompound:parent
chemicalCompound:standardIn...
InChI=1S/C27H32N2O5S.CH4O3S/c1-16-17(2)24-21(18(3)23(16)30)10-11-27(4,34-24)15-29(5)12-13-33-20-8-6-19(7-9-20)14-22-25(31)28-26(32)35-22;1-5(2,3)4/h6-9,14,30H,10-13,15H2,1-5H3,(H,28,31,32);1H3,(H,2,3,4)/b22-14-;
chemicalCompound:standardIn...
HGRDVVNFCXGNSC-YDHFHHHVSA-N
chemicalCompound:canonicalS...
CN(CCOc1ccc(\C=C\2/SC(=O)NC2=O)cc1)CC3(C)CCc4c(C)c(O)c(C)c(C)c4O3.CS(=O)(=O)O
chemicalCompound:molecularF...
C28H36N2O8S2
chemicalCompound:moleculeId
641208
chemicalCompound:mwFreebase
496.618
chemicalCompound:alogp
5.678
chemicalCompound:hba
7
chemicalCompound:hbd
2
chemicalCompound:psa
113.4
chemicalCompound:rtb
7
chemicalCompound:ro3Pass
N
chemicalCompound:numRo5viol...
1
chemicalCompound:medChemFri...
Y
chemicalCompound:acdMostApk...
7.621
chemicalCompound:acdLogP
4.205
chemicalCompound:acdLogD
3.628
chemicalCompound:molecularS...
chemicalCompound:fullMwt
592.724
chemicalCompound:acdMostBpk...
7.52
chemicalCompound:chemblId
CHEMBL1159669
chemicalCompound:maxPhase
0
chemicalCompound:therapeuti...
0
chemicalCompound:dosedIngre...
No
chemicalCompound:structureT...
chemicalCompound:chebi
chemicalCompound:moleculeTy...
chemicalCompound:oral
No
chemicalCompound:parenteral
No
chemicalCompound:topical
No
chemicalCompound:blackBoxWa...
No
chemicalCompound:naturalPro...
No
chemicalCompound:proDrug
No
chemicalCompound:activity