|
rdf:type |
|
|
chemicalCompound:standardIn... |
InChI=1S/C20H14Cl3N3/c21-13-5-6-15(19(23)9-13)20(26-8-7-24-12-26)17-11-25-10-16(17)14-3-1-2-4-18(14)22/h1-12,20,25H
|
|
chemicalCompound:standardIn... |
SDRUARWGCORIAG-UHFFFAOYSA-N
|
|
chemicalCompound:canonicalS... |
Clc1ccc(C(c2c[nH]cc2c3ccccc3Cl)n4ccnc4)c(Cl)c1
|
|
chemicalCompound:molecularF... |
C20 H14 Cl3 N3
|
|
chemicalCompound:moleculeId |
222223
|
|
chemicalCompound:mwFreebase |
402.704
|
|
chemicalCompound:alogp |
5.724
|
|
chemicalCompound:hba |
1
|
|
chemicalCompound:hbd |
1
|
|
chemicalCompound:psa |
33.61
|
|
chemicalCompound:rtb |
4
|
|
chemicalCompound:ro3Pass |
N
|
|
chemicalCompound:numRo5viol... |
1
|
|
chemicalCompound:medChemFri... |
Y
|
|
chemicalCompound:acdLogP |
6.702
|
|
chemicalCompound:acdLogD |
6.672
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
402.704
|
|
chemicalCompound:acdMostBpk... |
6.205
|
|
chemicalCompound:chemblId |
CHEMBL335690
|
|
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:1231273,
activity:1231274,
activity:1231275,
activity:1231276,
activity:1231277,
activity:1231278,
activity:1231279,
activity:1231280,
activity:1231281,
activity:1231282,
activity:1231283,
activity:1231284,
activity:1231285,
activity:1231286,
activity:1231287,
activity:1231288
|
