Statements in which the resource exists as a subject.
PredicateObject
rdf:type
chemicalCompound:standardIn...
InChI=1S/C47H66N8O16/c1-24(2)20-32(52-45(68)38(25(3)4)55-41(64)29(48)16-18-35(56)57)44(67)51-31(21-27-12-8-6-9-13-27)39(62)46(69)53-33(23-37(60)61)43(66)49-26(5)40(63)50-30(17-19-36(58)59)42(65)54-34(47(70)71)22-28-14-10-7-11-15-28/h6-15,24-26,29-34,38-39,62H,16-23,48H2,1-5H3,(H,49,66)(H,50,63)(H,51,67)(H,52,68)(H,53,69)(H,54,65)(H,55,64)(H,56,57)(H,58,59)(H,60,61)(H,70,71)/t26-,29-,30-,31-,32-,33-,34-,38-,39+/m0/s1
chemicalCompound:standardIn...
XZLFSKMZGRMIHM-OGBCTUIFSA-N
chemicalCompound:canonicalS...
CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CCC(=O)O)C(C)C)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc2ccccc2)C(=O)O
chemicalCompound:molecularF...
C47 H66 N8 O16
chemicalCompound:moleculeId
55089
chemicalCompound:mwFreebase
999.071
chemicalCompound:alogp
-2.892
chemicalCompound:hba
17
chemicalCompound:hbd
13
chemicalCompound:psa
399.15
chemicalCompound:rtb
31
chemicalCompound:ro3Pass
N
chemicalCompound:numRo5viol...
3
chemicalCompound:medChemFri...
Y
chemicalCompound:acdMostApk...
3.481
chemicalCompound:acdLogP
0.31
chemicalCompound:acdLogD
-5.204
chemicalCompound:molecularS...
chemicalCompound:fullMwt
999.071
chemicalCompound:acdMostBpk...
8.719
chemicalCompound:chemblId
CHEMBL406146
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