Statements in which the resource exists as a subject.
PredicateObject
rdf:type
chemicalCompound:standardIn...
InChI=1S/C46H54ClN7O15/c47-28-16-17-30-36(45(67)54(30)37(28)46(68)69)52-44(66)29(51-43(65)27-11-7-15-33(57)40(27)62)12-1-2-20-48-34(58)18-19-35(59)53(24-8-22-50-42(64)26-10-6-14-32(56)39(26)61)23-4-3-21-49-41(63)25-9-5-13-31(55)38(25)60/h5-7,9-11,13-15,29-30,36,55-57,60-62H,1-4,8,12,16-24H2,(H,48,58)(H,49,63)(H,50,64)(H,51,65)(H,52,66)(H,68,69)/t29-,30+,36-/m0/s1
chemicalCompound:standardIn...
MPBDAFPRJSEQHS-BLBFUMABSA-N
chemicalCompound:canonicalS...
OC(=O)C1=C(Cl)CC[C@@H]2[C@H](NC(=O)[C@H](CCCCNC(=O)CCC(=O)N(CCCCNC(=O)c3cccc(O)c3O)CCCNC(=O)c4cccc(O)c4O)NC(=O)c5cccc(O)c5O)C(=O)N12
chemicalCompound:molecularF...
C46 H54 Cl N7 O15
chemicalCompound:moleculeId
248233
chemicalCompound:mwFreebase
980.412
chemicalCompound:alogp
0.993
chemicalCompound:hba
15
chemicalCompound:hbd
12
chemicalCompound:psa
344.8
chemicalCompound:rtb
24
chemicalCompound:ro3Pass
N
chemicalCompound:numRo5viol...
3
chemicalCompound:medChemFri...
N
chemicalCompound:acdMostApk...
3.139
chemicalCompound:acdLogP
-1.686
chemicalCompound:acdLogD
-5.414
chemicalCompound:molecularS...
chemicalCompound:fullMwt
980.412
chemicalCompound:chemblId
CHEMBL263305
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