|
rdf:type |
|
|
chemicalCompound:standardIn... |
InChI=1S/C20H14Cl3N3/c21-14-3-1-13(2-4-14)20(26-8-7-24-12-26)18-11-25-10-17(18)16-6-5-15(22)9-19(16)23/h1-12,20,25H
|
|
chemicalCompound:standardIn... |
LTUHZEBCJDMLPQ-UHFFFAOYSA-N
|
|
chemicalCompound:canonicalS... |
Clc1ccc(cc1)C(c2c[nH]cc2c3ccc(Cl)cc3Cl)n4ccnc4
|
|
chemicalCompound:molecularF... |
C20 H14 Cl3 N3
|
|
chemicalCompound:moleculeId |
222810
|
|
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 |
6.414
|
|
chemicalCompound:acdLogD |
6.363
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
402.704
|
|
chemicalCompound:acdMostBpk... |
6.449
|
|
chemicalCompound:chemblId |
CHEMBL134511
|
|
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:1236334,
activity:1236335,
activity:1236336,
activity:1236337,
activity:1236338,
activity:1236339,
activity:1236340,
activity:1236341,
activity:1236342,
activity:1236343,
activity:1236344,
activity:1236345,
activity:1236346,
activity:1236347,
activity:1236348,
activity:1236349
|
