| Drug Name |
Fluorinated donepezil derivative 1
|
| Synonyms |
PMID27967267-Compound-1 |
| Drug Type |
Small molecular drug
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| Structure |
|
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3D MOL
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2D MOL
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| #Ro5 Violations (Lipinski): 0 |
Molecular Weight (mw) |
415.5 |
|
| Logarithm of the Partition Coefficient (xlogp) |
4.5 |
| Rotatable Bond Count (rotbonds) |
6 |
| Hydrogen Bond Donor Count (hbonddonor) |
0 |
| Hydrogen Bond Acceptor Count (hbondacc) |
6 |
| Chemical Identifiers |
- Formula
- C24H27F2NO3
- IUPAC Name
2-[(1-benzyl-4-fluoropiperidin-4-yl)methyl]-2-fluoro-5,6-dimethoxy-3H-inden-1-one - Canonical SMILES
-
COC1=C(C=C2C(=C1)CC(C2=O)(CC3(CCN(CC3)CC4=CC=CC=C4)F)F)OC
- InChI
-
InChI=1S/C24H27F2NO3/c1-29-20-12-18-14-24(26,22(28)19(18)13-21(20)30-2)16-23(25)8-10-27(11-9-23)15-17-6-4-3-5-7-17/h3-7,12-13H,8-11,14-16H2,1-2H3
- InChIKey
-
FMFDCMLVUWZCIV-UHFFFAOYSA-N
|
| Cross-matching ID |
- PubChem CID
- 72710841
- TTD ID
- D0XS3N
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