Statements in which the resource exists as a subject.
PredicateObject
rdf:type
chemicalCompound:parent
chemicalCompound:standardIn...
InChI=1S/C43H58Cl2N8O8.2ClH/c44-32-18-6-4-16-30(32)27-60-42(58)50-24-11-8-20-34(46)39(55)49-23-13-10-22-36(41(57)53-37(38(48)54)26-29-14-2-1-3-15-29)52-40(56)35(47)21-9-12-25-51-43(59)61-28-31-17-5-7-19-33(31)45;;/h1-7,14-19,34-37H,8-13,20-28,46-47H2,(H2,48,54)(H,49,55)(H,50,58)(H,51,59)(H,52,56)(H,53,57);2*1H/t34-,35-,36-,37-;;/m0../s1
chemicalCompound:standardIn...
NBUVSYJVROOVMT-UALLXGDJSA-N
chemicalCompound:canonicalS...
Cl.Cl.N[C@@H](CCCCNC(=O)OCc1ccccc1Cl)C(=O)NCCCC[C@H](NC(=O)[C@@H](N)CCCCNC(=O)OCc2ccccc2Cl)C(=O)N[C@@H](Cc3ccccc3)C(=O)N
chemicalCompound:molecularF...
C43H60Cl4N8O8
chemicalCompound:moleculeId
1279074
chemicalCompound:mwFreebase
885.875
chemicalCompound:alogp
4.465
chemicalCompound:hba
10
chemicalCompound:hbd
8
chemicalCompound:psa
259.08
chemicalCompound:rtb
29
chemicalCompound:ro3Pass
N
chemicalCompound:numRo5viol...
2
chemicalCompound:medChemFri...
Y
chemicalCompound:acdMostApk...
12.361
chemicalCompound:acdLogP
4.839
chemicalCompound:acdLogD
3.265
chemicalCompound:molecularS...
chemicalCompound:fullMwt
958.797
chemicalCompound:acdMostBpk...
8.239
chemicalCompound:chemblId
CHEMBL1950101
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