Statements in which the resource exists as a subject.
PredicateObject
rdf:type
chemicalCompound:standardIn...
InChI=1S/C42H59N3O11/c1-10-32-42(7)36(43-40(50)55-42)25(3)33(46)24(2)23-41(6,52-20-15-14-18-29-22-30(44-56-29)28-16-12-11-13-17-28)37(26(4)34(47)27(5)38(49)53-32)54-39-35(48)31(45(8)9)19-21-51-39/h11-13,16-17,24-27,29,31-32,35-37,39,48H,10,18-23H2,1-9H3,(H,43,50)/t24-,25+,26+,27-,29?,31+,32-,35-,36-,37-,39+,41+,42-/m1/s1
chemicalCompound:standardIn...
SHCMKAOIBGVRDQ-CJVSPDNOSA-N
chemicalCompound:canonicalS...
CC[C@H]1OC(=O)[C@H](C)C(=O)[C@H](C)[C@@H](O[C@@H]2OCC[C@@H]([C@H]2O)N(C)C)[C@](C)(C[C@@H](C)C(=O)[C@H](C)[C@H]3NC(=O)O[C@]13C)OCC#CCC4CC(=NO4)c5ccccc5
chemicalCompound:molecularF...
C42 H59 N3 O11
chemicalCompound:moleculeId
78328
chemicalCompound:mwFreebase
781.931
chemicalCompound:alogp
4.777
chemicalCompound:hba
13
chemicalCompound:hbd
2
chemicalCompound:psa
171.52
chemicalCompound:rtb
10
chemicalCompound:ro3Pass
N
chemicalCompound:numRo5viol...
2
chemicalCompound:medChemFri...
N
chemicalCompound:acdMostApk...
10.818
chemicalCompound:acdLogP
3.943
chemicalCompound:acdLogD
3.222
chemicalCompound:molecularS...
chemicalCompound:fullMwt
781.931
chemicalCompound:acdMostBpk...
8.12
chemicalCompound:chemblId
CHEMBL295489
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