Statements in which the resource exists as a subject.
PredicateObject
rdf:type
chemicalCompound:standardIn...
InChI=1S/C45H63N11O12/c1-25(2)36(53-42(65)33(23-35(59)60)51-44(67)37(27(4)57)54-40(63)30-17-11-18-47-30)43(66)48-24-34(58)55-19-12-20-56(55)45(68)52-32(22-29-15-9-6-10-16-29)41(64)49-26(3)39(62)50-31(38(46)61)21-28-13-7-5-8-14-28/h5-10,13-16,25-27,30-33,36-37,47,57H,11-12,17-24H2,1-4H3,(H2,46,61)(H,48,66)(H,49,64)(H,50,62)(H,51,67)(H,52,68)(H,53,65)(H,54,63)(H,59,60)/t26-,27+,30-,31-,32-,33-,36-,37-/m0/s1
chemicalCompound:standardIn...
OUHNKVXUUACOBK-UEBUATRSSA-N
chemicalCompound:canonicalS...
CC(C)[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1)[C@@H](C)O)C(=O)NCC(=O)N2CCCN2C(=O)N[C@@H](Cc3ccccc3)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc4ccccc4)C(=O)N
chemicalCompound:molecularF...
C45 H63 N11 O12
chemicalCompound:moleculeId
370691
chemicalCompound:mwFreebase
950.048
chemicalCompound:alogp
-4.864
chemicalCompound:hba
13
chemicalCompound:hbd
11
chemicalCompound:psa
339.89
chemicalCompound:rtb
23
chemicalCompound:ro3Pass
N
chemicalCompound:numRo5viol...
3
chemicalCompound:medChemFri...
Y
chemicalCompound:acdMostApk...
4.184
chemicalCompound:acdLogP
1.213
chemicalCompound:acdLogD
-1.311
chemicalCompound:molecularS...
chemicalCompound:fullMwt
950.048
chemicalCompound:acdMostBpk...
8.624
chemicalCompound:chemblId
CHEMBL374579
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