| Drug Name |
PMID25522065-Compound-38
|
| Drug Type |
Small molecular drug
|
| Structure |
|
 |
|
3D MOL
|
2D MOL
|
| #Ro5 Violations (Lipinski): 0 |
Molecular Weight (mw) |
395.4 |
|
| Logarithm of the Partition Coefficient (xlogp) |
3.3 |
| Rotatable Bond Count (rotbonds) |
7 |
| Hydrogen Bond Donor Count (hbonddonor) |
1 |
| Hydrogen Bond Acceptor Count (hbondacc) |
5 |
| Chemical Identifiers |
- Formula
- C23H22FNO4
- IUPAC Name
4-[(4-fluorophenyl)methoxy]-1-[4-[(1-hydroxycyclopropyl)methoxy]-3-methylphenyl]pyridin-2-one - Canonical SMILES
-
CC1=C(C=CC(=C1)N2C=CC(=CC2=O)OCC3=CC=C(C=C3)F)OCC4(CC4)O
- InChI
-
InChI=1S/C23H22FNO4/c1-16-12-19(6-7-21(16)29-15-23(27)9-10-23)25-11-8-20(13-22(25)26)28-14-17-2-4-18(24)5-3-17/h2-8,11-13,27H,9-10,14-15H2,1H3
- InChIKey
-
DSXGYSJOEHCCMA-UHFFFAOYSA-N
|
| Cross-matching ID |
- PubChem CID
- 53476614
- TTD ID
- D0S6DD
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