|
rdf:type |
|
|
chemicalCompound:standardIn... |
InChI=1S/C24H18Cl2N4/c25-18-5-8-20(23(26)13-18)21-14-28-15-22(21)24(30-12-9-27-16-30)17-3-6-19(7-4-17)29-10-1-2-11-29/h1-16,24,28H
|
|
chemicalCompound:standardIn... |
HYRNBFYDVQCQIM-UHFFFAOYSA-N
|
|
chemicalCompound:canonicalS... |
Clc1ccc(c(Cl)c1)c2c[nH]cc2C(c3ccc(cc3)n4cccc4)n5ccnc5
|
|
chemicalCompound:molecularF... |
C24 H18 Cl2 N4
|
|
chemicalCompound:moleculeId |
223109
|
|
chemicalCompound:mwFreebase |
433.333
|
|
chemicalCompound:alogp |
5.935
|
|
chemicalCompound:hba |
1
|
|
chemicalCompound:hbd |
1
|
|
chemicalCompound:psa |
38.54
|
|
chemicalCompound:rtb |
5
|
|
chemicalCompound:ro3Pass |
N
|
|
chemicalCompound:numRo5viol... |
1
|
|
chemicalCompound:medChemFri... |
Y
|
|
chemicalCompound:acdLogP |
6.677
|
|
chemicalCompound:acdLogD |
6.632
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
433.333
|
|
chemicalCompound:acdMostBpk... |
6.395
|
|
chemicalCompound:chemblId |
CHEMBL334968
|
|
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:1236366,
activity:1236367,
activity:1236368,
activity:1236369,
activity:1236370,
activity:1236371,
activity:1236372,
activity:1236373,
activity:1236374,
activity:1236375,
activity:1236376,
activity:1236377,
activity:1236378,
activity:1236379,
activity:1236380,
activity:1236381
|
