| Drug Name |
Imidazo[5,1-c]pyrido[2,3-e][1,2,4]triazine derivative 3
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| Synonyms |
PMID27321640-Compound-25 |
| 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) |
339.32 |
|
| Logarithm of the Partition Coefficient (xlogp) |
3.2 |
| Rotatable Bond Count (rotbonds) |
3 |
| Hydrogen Bond Donor Count (hbonddonor) |
0 |
| Hydrogen Bond Acceptor Count (hbondacc) |
7 |
| Chemical Identifiers |
- Formula
- C17H14FN5O2
- IUPAC Name
3-(2-fluoro-5-methoxyphenyl)-12-methoxy-5-methyl-2,4,7,8,13-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaene - Canonical SMILES
-
CC1=C2N=NC3=C(N2C(=N1)C4=C(C=CC(=C4)OC)F)N=C(C=C3)OC
- InChI
-
InChI=1S/C17H14FN5O2/c1-9-15-22-21-13-6-7-14(25-3)20-17(13)23(15)16(19-9)11-8-10(24-2)4-5-12(11)18/h4-8H,1-3H3
- InChIKey
-
HLUWBLAYMFWHOF-UHFFFAOYSA-N
|
| Cross-matching ID |
- PubChem CID
- 46200734
- TTD ID
- D07EUB
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