rdf:type |
|
chemicalCompound:parent |
|
chemicalCompound:standardIn... |
InChI=1S/C22H16N4O3.ClH/c23-21(27)13-4-6-14(7-5-13)22-25-19(20(26-22)16-3-1-2-10-24-16)15-8-9-17-18(11-15)29-12-28-17;/h1-11H,12H2,(H2,23,27)(H,25,26);1H
|
chemicalCompound:standardIn... |
DUZCSXXJVYCEKF-UHFFFAOYSA-N
|
chemicalCompound:canonicalS... |
Cl.NC(=O)c1ccc(cc1)c2nc(c3ccccn3)c([nH]2)c4ccc5OCOc5c4
|
chemicalCompound:molecularF... |
C22H17ClN4O3
|
chemicalCompound:moleculeId |
1249149
|
chemicalCompound:mwFreebase |
384.387
|
chemicalCompound:alogp |
3.447
|
chemicalCompound:hba |
5
|
chemicalCompound:hbd |
2
|
chemicalCompound:psa |
103.12
|
chemicalCompound:rtb |
4
|
chemicalCompound:ro3Pass |
N
|
chemicalCompound:numRo5viol... |
0
|
chemicalCompound:medChemFri... |
Y
|
chemicalCompound:acdMostApk... |
10.144
|
chemicalCompound:acdLogP |
2.368
|
chemicalCompound:acdLogD |
2.368
|
chemicalCompound:molecularS... |
|
chemicalCompound:fullMwt |
420.848
|
chemicalCompound:acdMostBpk... |
2.237
|
chemicalCompound:chemblId |
CHEMBL1909378
|
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 |
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