Statements in which the resource exists as a subject.
PredicateObject
rdf:type
chemicalCompound:parent
chemicalCompound:standardIn...
InChI=1S/C51H74Cl2N8O8.2ClH/c1-2-3-4-5-6-19-32-57-47(63)45(34-37-21-8-7-9-22-37)59-48(64)43(58-49(65)44(28-15-18-31-55)61-51(67)69-36-39-24-11-13-26-41(39)53)29-16-20-33-56-46(62)42(27-14-17-30-54)60-50(66)68-35-38-23-10-12-25-40(38)52;;/h7-13,21-26,42-45H,2-6,14-20,27-36,54-55H2,1H3,(H,56,62)(H,57,63)(H,58,65)(H,59,64)(H,60,66)(H,61,67);2*1H/t42-,43-,44-,45-;;/m0../s1
chemicalCompound:standardIn...
VBXOADGTFACWMO-XHSCZEBXSA-N
chemicalCompound:canonicalS...
Cl.Cl.CCCCCCCCNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCCNC(=O)[C@H](CCCCN)NC(=O)OCc2ccccc2Cl)NC(=O)[C@H](CCCCN)NC(=O)OCc3ccccc3Cl
chemicalCompound:molecularF...
C51H76Cl4N8O8
chemicalCompound:moleculeId
1279069
chemicalCompound:mwFreebase
998.088
chemicalCompound:alogp
7.825
chemicalCompound:hba
10
chemicalCompound:hbd
8
chemicalCompound:psa
245.09
chemicalCompound:rtb
36
chemicalCompound:ro3Pass
N
chemicalCompound:numRo5viol...
3
chemicalCompound:medChemFri...
N
chemicalCompound:acdMostApk...
10.767
chemicalCompound:acdLogP
9.767
chemicalCompound:acdLogD
5.675
chemicalCompound:molecularS...
chemicalCompound:fullMwt
1071.01
chemicalCompound:acdMostBpk...
10.422
chemicalCompound:chemblId
CHEMBL1950096
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