Statements in which the resource exists as a subject.
PredicateObject
rdf:type
chemicalCompound:standardIn...
InChI=1S/C46H64N10O12/c1-25(2)37(54-43(65)33(23-36(59)60)53-46(68)38(27(4)57)55-41(63)30-17-11-19-48-30)45(67)49-24-35(58)56-20-12-18-34(56)44(66)52-32(22-29-15-9-6-10-16-29)42(64)50-26(3)40(62)51-31(39(47)61)21-28-13-7-5-8-14-28/h5-10,13-16,25-27,30-34,37-38,48,57H,11-12,17-24H2,1-4H3,(H2,47,61)(H,49,67)(H,50,64)(H,51,62)(H,52,66)(H,53,68)(H,54,65)(H,55,63)(H,59,60)/t26-,27+,30-,31-,32-,33-,34-,37-,38-/m0/s1
chemicalCompound:standardIn...
DEFKZRVDAFGGJP-LFCJLEJMSA-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)N2CCC[C@H]2C(=O)N[C@@H](Cc3ccccc3)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc4ccccc4)C(=O)N
chemicalCompound:molecularF...
C46 H64 N10 O12
chemicalCompound:moleculeId
370681
chemicalCompound:mwFreebase
949.06
chemicalCompound:alogp
-4.46
chemicalCompound:hba
13
chemicalCompound:hbd
11
chemicalCompound:psa
336.65
chemicalCompound:rtb
24
chemicalCompound:ro3Pass
N
chemicalCompound:numRo5viol...
3
chemicalCompound:medChemFri...
Y
chemicalCompound:acdMostApk...
4.184
chemicalCompound:acdLogP
1.108
chemicalCompound:acdLogD
-1.416
chemicalCompound:molecularS...
chemicalCompound:fullMwt
949.06
chemicalCompound:acdMostBpk...
8.624
chemicalCompound:chemblId
CHEMBL223642
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