|
rdf:type |
|
|
chemicalCompound:standardIn... |
InChI=1S/C24H16Cl4N4/c25-15-6-8-18(20(27)12-15)22-24(31-11-10-29-14-31)23(19-9-7-16(26)13-21(19)28)32(30-22)17-4-2-1-3-5-17/h1-14,23-24H/t23-,24+/m1/s1
|
|
chemicalCompound:standardIn... |
RPKAYGJLTQVXCY-RPWUZVMVSA-N
|
|
chemicalCompound:canonicalS... |
Clc1ccc([C@@H]2[C@H](C(=NN2c3ccccc3)c4ccc(Cl)cc4Cl)n5ccnc5)c(Cl)c1
|
|
chemicalCompound:molecularF... |
C24H16Cl4N4
|
|
chemicalCompound:moleculeId |
487207
|
|
chemicalCompound:mwFreebase |
502.223
|
|
chemicalCompound:alogp |
7.468
|
|
chemicalCompound:hba |
3
|
|
chemicalCompound:hbd |
0
|
|
chemicalCompound:psa |
33.42
|
|
chemicalCompound:rtb |
4
|
|
chemicalCompound:ro3Pass |
N
|
|
chemicalCompound:numRo5viol... |
2
|
|
chemicalCompound:medChemFri... |
Y
|
|
chemicalCompound:acdLogP |
5.999
|
|
chemicalCompound:acdLogD |
5.986
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
502.223
|
|
chemicalCompound:acdMostBpk... |
5.891
|
|
chemicalCompound:chemblId |
CHEMBL468021
|
|
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 |
|
