|
rdf:type |
|
|
chemicalCompound:synonym |
|
|
chemicalCompound:standardIn... |
InChI=1S/C22H16N4O3/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)
|
|
chemicalCompound:standardIn... |
FHYUGAJXYORMHI-UHFFFAOYSA-N
|
|
chemicalCompound:canonicalS... |
NC(=O)c1ccc(cc1)c2nc(c3ccccn3)c([nH]2)c4ccc5OCOc5c4
|
|
chemicalCompound:molecularF... |
C22H16N4O3
|
|
chemicalCompound:moleculeId |
273
|
|
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 |
384.387
|
|
chemicalCompound:acdMostBpk... |
2.237
|
|
chemicalCompound:chemblId |
CHEMBL440084
|
|
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:prefName |
SB-431542
|
|
chemicalCompound:activity |
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