Statements in which the resource exists as a subject.
PredicateObject
rdf:type
chemicalCompound:standardIn...
InChI=1S/C42H55N13O6/c1-24(2)19-33(40(61)53-31(13-8-18-48-41(44)45)39(60)54-32(36(43)57)21-27-22-49-30-12-7-6-11-29(27)30)52-35(56)23-50-38(59)34(20-25-9-4-3-5-10-25)55-37(58)26-14-16-28(17-15-26)51-42(46)47/h3-7,9-12,14-17,22,24,31-34,49H,8,13,18-21,23H2,1-2H3,(H2,43,57)(H,50,59)(H,52,56)(H,53,61)(H,54,60)(H,55,58)(H4,44,45,48)(H4,46,47,51)/t31-,32-,33-,34-/m0/s1
chemicalCompound:standardIn...
JHRZEIBKSYGXRV-CUPIEXAXSA-N
chemicalCompound:canonicalS...
CC(C)C[C@H](NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)c2ccc(NC(=N)N)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc3c[nH]c4ccccc34)C(=O)N
chemicalCompound:molecularF...
C42 H55 N13 O6
chemicalCompound:moleculeId
382372
chemicalCompound:mwFreebase
837.97
chemicalCompound:alogp
1
chemicalCompound:hba
8
chemicalCompound:hbd
13
chemicalCompound:psa
328.18
chemicalCompound:rtb
24
chemicalCompound:ro3Pass
N
chemicalCompound:numRo5viol...
2
chemicalCompound:medChemFri...
Y
chemicalCompound:acdMostApk...
13.304
chemicalCompound:acdLogP
1.837
chemicalCompound:acdLogD
-1.155
chemicalCompound:molecularS...
chemicalCompound:fullMwt
837.97
chemicalCompound:acdMostBpk...
13.518
chemicalCompound:chemblId
CHEMBL227165
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