Statements in which the resource exists as a subject.
PredicateObject
rdf:type
chemicalCompound:parent
chemicalCompound:standardIn...
InChI=1S/C28H28N3O4.BrH/c32-25-14-23-26-20-13-24-28(21-6-1-2-7-22(21)29(25)27(26)28)9-10-31(24,16-18(20)8-11-35-23)15-17-4-3-5-19(12-17)30(33)34;/h1-8,12,20,23-24,26-27H,9-11,13-16H2;1H/q+1;/p-1/t20-,23-,24-,26-,27-,28+,31?;/m0./s1
chemicalCompound:standardIn...
JXHNSEBJWRYIJS-ZUQDKBMMSA-M
chemicalCompound:canonicalS...
[Br-].[O-][N+](=O)c1cccc(C[N+]23CC[C@@]45[C@@H]2C[C@@H]6[C@H]7[C@H](CC(=O)N([C@H]47)c8ccccc58)OCC=C6C3)c1
chemicalCompound:molecularF...
C28H28BrN3O4
chemicalCompound:moleculeId
608427
chemicalCompound:mwFreebase
470.54
chemicalCompound:alogp
1.268
chemicalCompound:hba
0
chemicalCompound:hbd
3
chemicalCompound:psa
75.36
chemicalCompound:rtb
4
chemicalCompound:ro3Pass
N
chemicalCompound:numRo5viol...
0
chemicalCompound:medChemFri...
N
chemicalCompound:acdLogP
-0.713
chemicalCompound:acdLogD
-0.713
chemicalCompound:molecularS...
chemicalCompound:fullMwt
550.444
chemicalCompound:acdMostBpk...
0.024
chemicalCompound:chemblId
CHEMBL609720
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