| Drug Name |
Isoxazole-based bicyclic compound 19
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| Synonyms |
PMID26924192-Compound-79 |
| 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) |
459.4 |
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| Logarithm of the Partition Coefficient (xlogp) |
3.6 |
| Rotatable Bond Count (rotbonds) |
5 |
| Hydrogen Bond Donor Count (hbonddonor) |
1 |
| Hydrogen Bond Acceptor Count (hbondacc) |
9 |
| Chemical Identifiers |
- Formula
- C23H20F3N3O4
- IUPAC Name
6-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxy-1-(pyridin-2-ylmethyl)-3-(2,2,2-trifluoro-1-hydroxyethyl)quinolin-2-one - Canonical SMILES
-
CC1=C(C(=NO1)C)C2=C(C=C3C(=C2)C=C(C(=O)N3CC4=CC=CC=N4)C(C(F)(F)F)O)OC
- InChI
-
InChI=1S/C23H20F3N3O4/c1-12-20(13(2)33-28-12)16-8-14-9-17(21(30)23(24,25)26)22(31)29(18(14)10-19(16)32-3)11-15-6-4-5-7-27-15/h4-10,21,30H,11H2,1-3H3
- InChIKey
-
KORFDBDOHJBIRP-UHFFFAOYSA-N
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| Cross-matching ID |
- PubChem CID
- 118224629
- TTD ID
- D0A4RP
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