|
rdf:type |
|
|
chemicalCompound:standardIn... |
InChI=1S/C23H20N2O3/c26-16-7-4-6-15(14-16)25-22(27)18-9-5-8-17-20(24-12-2-1-3-13-24)11-10-19(21(17)18)23(25)28/h4-11,14,26H,1-3,12-13H2
|
|
chemicalCompound:standardIn... |
UZAAGXXNSDUWGE-UHFFFAOYSA-N
|
|
chemicalCompound:canonicalS... |
Oc1cccc(c1)N2C(=O)c3cccc4c(ccc(C2=O)c34)N5CCCCC5
|
|
chemicalCompound:molecularF... |
C23H20N2O3
|
|
chemicalCompound:moleculeId |
1009951
|
|
chemicalCompound:mwFreebase |
372.417
|
|
chemicalCompound:alogp |
4.184
|
|
chemicalCompound:hba |
4
|
|
chemicalCompound:hbd |
1
|
|
chemicalCompound:psa |
60.85
|
|
chemicalCompound:rtb |
2
|
|
chemicalCompound:ro3Pass |
N
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
Y
|
|
chemicalCompound:acdMostApk... |
9.47
|
|
chemicalCompound:acdLogP |
3.71
|
|
chemicalCompound:acdLogD |
3.704
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
372.417
|
|
chemicalCompound:acdMostBpk... |
3.507
|
|
chemicalCompound:chemblId |
CHEMBL1586067
|
|
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:3606600,
activity:3615493,
activity:3755069,
activity:3786719,
activity:4113150,
activity:4181110,
activity:4261332,
activity:4370660,
activity:4582798,
activity:4614464,
activity:4963555,
activity:5344419,
activity:5367998,
activity:5446113,
activity:5503072,
activity:5660730,
activity:5853241,
activity:5865840,
activity:6473722,
activity:6607256,
activity:6762753,
activity:6769466,
activity:6894611,
activity:6936266,
activity:7013634,
activity:7122600,
activity:7248800,
activity:7249688,
activity:7256700,
activity:7424052,
activity:7433483,
activity:7465171,
activity:9778672,
activity:10551973,
activity:10668740
|
