|
rdf:type |
|
|
chemicalCompound:standardIn... |
InChI=1S/C20H16Cl2N4/c21-14-3-6-16(19(22)9-14)20(26-8-7-24-12-26)18-11-25-10-17(18)13-1-4-15(23)5-2-13/h1-12,20,25H,23H2
|
|
chemicalCompound:standardIn... |
CKSSJMQIIJQZNV-UHFFFAOYSA-N
|
|
chemicalCompound:canonicalS... |
Nc1ccc(cc1)c2c[nH]cc2C(c3ccc(Cl)cc3Cl)n4ccnc4
|
|
chemicalCompound:molecularF... |
C20 H16 Cl2 N4
|
|
chemicalCompound:moleculeId |
149710
|
|
chemicalCompound:mwFreebase |
383.274
|
|
chemicalCompound:alogp |
4.313
|
|
chemicalCompound:hba |
2
|
|
chemicalCompound:hbd |
2
|
|
chemicalCompound:psa |
59.63
|
|
chemicalCompound:rtb |
4
|
|
chemicalCompound:ro3Pass |
N
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
Y
|
|
chemicalCompound:acdLogP |
5.219
|
|
chemicalCompound:acdLogD |
5.171
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
383.274
|
|
chemicalCompound:acdMostBpk... |
6.262
|
|
chemicalCompound:chemblId |
CHEMBL328651
|
|
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:85807,
activity:85808,
activity:85809,
activity:85810,
activity:85811,
activity:85812,
activity:85813,
activity:85814,
activity:85815,
activity:85816,
activity:85817,
activity:85818,
activity:85819,
activity:85820,
activity:85821,
activity:85822,
activity:85823,
activity:85824,
activity:85825,
activity:85826,
activity:85827,
activity:1493738
|
