Drug Name |
Tetra-hydro-imidazo[1,5-d][1,4]oxazepin-3-yl derivative 4
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Synonyms |
PMID25435285-Compound-94 |
Drug Type |
Small molecular drug
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Structure |
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![](/sites/default/files/drug/00-images/DMLMXT6.png) |
3D MOL
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2D MOL
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#Ro5 Violations (Lipinski): 0 |
Molecular Weight (mw) |
443.5 |
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Logarithm of the Partition Coefficient (xlogp) |
4.5 |
Rotatable Bond Count (rotbonds) |
5 |
Hydrogen Bond Donor Count (hbonddonor) |
0 |
Hydrogen Bond Acceptor Count (hbondacc) |
5 |
Chemical Identifiers |
- Formula
- C27H26FN3O2
- IUPAC Name
1-(2,6-dimethylpyridin-4-yl)-3-(3-fluoro-4-phenylmethoxyphenyl)-5,6,8,9-tetrahydroimidazo[1,5-d][1,4]oxazepine
- Canonical SMILES
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CC1=CC(=CC(=N1)C)C2=C3CCOCCN3C(=N2)C4=CC(=C(C=C4)OCC5=CC=CC=C5)F
- InChI
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InChI=1S/C27H26FN3O2/c1-18-14-22(15-19(2)29-18)26-24-10-12-32-13-11-31(24)27(30-26)21-8-9-25(23(28)16-21)33-17-20-6-4-3-5-7-20/h3-9,14-16H,10-13,17H2,1-2H3
- InChIKey
-
DNUJOEZUOUPUCH-UHFFFAOYSA-N
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Cross-matching ID |
- PubChem CID
- 90354590
- TTD ID
- D0N9IA
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