|
rdf:type |
|
|
chemicalCompound:standardIn... |
InChI=1S/C20H14Cl2FN3/c21-18-6-3-14(9-19(18)22)16-10-25-11-17(16)20(26-8-7-24-12-26)13-1-4-15(23)5-2-13/h1-12,20,25H
|
|
chemicalCompound:standardIn... |
MFVIYKYXLRUUAJ-UHFFFAOYSA-N
|
|
chemicalCompound:canonicalS... |
Fc1ccc(cc1)C(c2c[nH]cc2c3ccc(Cl)c(Cl)c3)n4ccnc4
|
|
chemicalCompound:molecularF... |
C20 H14 Cl2 F N3
|
|
chemicalCompound:moleculeId |
222538
|
|
chemicalCompound:mwFreebase |
386.25
|
|
chemicalCompound:alogp |
5.265
|
|
chemicalCompound:hba |
1
|
|
chemicalCompound:hbd |
1
|
|
chemicalCompound:psa |
33.61
|
|
chemicalCompound:rtb |
4
|
|
chemicalCompound:ro3Pass |
N
|
|
chemicalCompound:numRo5viol... |
1
|
|
chemicalCompound:medChemFri... |
Y
|
|
chemicalCompound:acdLogP |
6.189
|
|
chemicalCompound:acdLogD |
6.139
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
386.25
|
|
chemicalCompound:acdMostBpk... |
6.445
|
|
chemicalCompound:chemblId |
CHEMBL336567
|
|
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:1231215,
activity:1231216,
activity:1231217,
activity:1231218,
activity:1231219,
activity:1231220,
activity:1231221,
activity:1231222,
activity:1231223,
activity:1231224,
activity:1231225,
activity:1231226,
activity:1231227,
activity:1231228,
activity:1231229,
activity:1231230
|
