| Drug Name |
US9707205, 40
|
| Synonyms |
SCHEMBL176871; BDBM255789; US9707205, 40; 2-amino-2-(5-(5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl)benzofuran-2-yl)propane-1,3-diol |
| Drug Type |
Small molecular drug
|
| Structure |
|
 |
|
3D MOL
|
2D MOL
|
| #Ro5 Violations (Lipinski): 0 |
Molecular Weight (mw) |
439.5 |
|
| Logarithm of the Partition Coefficient (xlogp) |
1.9 |
| Rotatable Bond Count (rotbonds) |
9 |
| Hydrogen Bond Donor Count (hbonddonor) |
3 |
| Hydrogen Bond Acceptor Count (hbondacc) |
9 |
| Chemical Identifiers |
- Formula
- C23H25N3O6
- IUPAC Name
2-amino-2-[5-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-1-benzofuran-2-yl]propane-1,3-diol - Canonical SMILES
-
CCOC1=C(C=C(C=C1)C2=NC(=NO2)C3=CC4=C(C=C3)OC(=C4)C(CO)(CO)N)OCC
- InChI
-
InChI=1S/C23H25N3O6/c1-3-29-18-8-6-15(10-19(18)30-4-2)22-25-21(26-32-22)14-5-7-17-16(9-14)11-20(31-17)23(24,12-27)13-28/h5-11,27-28H,3-4,12-13,24H2,1-2H3
- InChIKey
-
YPBZKICXUPGWLN-UHFFFAOYSA-N
|
| Cross-matching ID |
- PubChem CID
- 45255647
- TTD ID
- D0VJ8Y
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