|
rdf:type |
|
|
chemicalCompound:standardIn... |
InChI=1S/C20H13Cl4N3/c21-13-2-3-14(18(23)8-13)15-9-26-10-16(15)20(27-6-5-25-11-27)12-1-4-17(22)19(24)7-12/h1-11,20,26H
|
|
chemicalCompound:standardIn... |
ZOYMPLYCEMBDBQ-UHFFFAOYSA-N
|
|
chemicalCompound:canonicalS... |
Clc1ccc(c(Cl)c1)c2c[nH]cc2C(c3ccc(Cl)c(Cl)c3)n4ccnc4
|
|
chemicalCompound:molecularF... |
C20 H13 Cl4 N3
|
|
chemicalCompound:moleculeId |
222695
|
|
chemicalCompound:mwFreebase |
437.149
|
|
chemicalCompound:alogp |
6.388
|
|
chemicalCompound:hba |
1
|
|
chemicalCompound:hbd |
1
|
|
chemicalCompound:psa |
33.61
|
|
chemicalCompound:rtb |
4
|
|
chemicalCompound:ro3Pass |
N
|
|
chemicalCompound:numRo5viol... |
1
|
|
chemicalCompound:medChemFri... |
Y
|
|
chemicalCompound:acdLogP |
7.003
|
|
chemicalCompound:acdLogD |
6.975
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
437.149
|
|
chemicalCompound:acdMostBpk... |
6.18
|
|
chemicalCompound:chemblId |
CHEMBL135425
|
|
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 |
activity:1244084,
activity:1244085,
activity:1244086,
activity:1244087,
activity:1244088,
activity:1244089,
activity:1244090,
activity:1244091,
activity:1244092,
activity:1244093,
activity:1244094,
activity:1244095,
activity:1244096,
activity:1244097,
activity:1244098,
activity:1244099
|
