| Drug Name |
Bicyclic pyrimidine derivative 2
|
| Synonyms |
PMID27718763-Compound-4 |
| Drug Type |
Small molecular drug
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| Structure |
|
 |
|
3D MOL
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2D MOL
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| #Ro5 Violations (Lipinski): 0 |
Molecular Weight (mw) |
464.4 |
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| Logarithm of the Partition Coefficient (xlogp) |
3.5 |
| Rotatable Bond Count (rotbonds) |
5 |
| Hydrogen Bond Donor Count (hbonddonor) |
0 |
| Hydrogen Bond Acceptor Count (hbondacc) |
9 |
| Chemical Identifiers |
- Formula
- C22H20F4N4O3
- IUPAC Name
7-[[3-fluoro-4-[5-(trifluoromethyl)pyridin-3-yl]oxyphenyl]methoxy]-1,2,2-trimethyl-3H-imidazo[1,2-c]pyrimidin-5-one - Canonical SMILES
-
CC1(CN2C(=CC(=NC2=O)OCC3=CC(=C(C=C3)OC4=CN=CC(=C4)C(F)(F)F)F)N1C)C
- InChI
-
InChI=1S/C22H20F4N4O3/c1-21(2)12-30-19(29(21)3)8-18(28-20(30)31)32-11-13-4-5-17(16(23)6-13)33-15-7-14(9-27-10-15)22(24,25)26/h4-10H,11-12H2,1-3H3
- InChIKey
-
PPKNPJKYLRQSCE-UHFFFAOYSA-N
|
| Cross-matching ID |
- PubChem CID
- 76853231
- TTD ID
- D0N8BA
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