Drug Name |
ABT-594
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Synonyms |
Tebanicline; ABT-594; 198283-73-7; Tebanicline [INN]; UNII-9KX8NKV538; CHEMBL430497; ABT594; 9KX8NKV538; (R)-5-(2-Azetidnylmethoxy)-2-chloropyridine; 5-((2R)-Azetidinylmethoxy)-2-chloropyridine; Pyridine, 5-(2-azetidnylmethoxy)-2-chloro-, (R)-; (R)-5-(azetidin-2-ylmethoxy)-2-chloropyridine; 5-[[(2R)-azetidin-2-yl]methoxy]-2-chloropyridine; Ebanicline; TEBENICILINE; AC1MIP4S; Tebanicline(ABT-594); SCHEMBL120178; GTPL3989; DTXSID90173555; MolPort-044-727-781; MKTAGSRKQIGEBH-SSDOTTSWSA-N; EX-A2483; BCP19181; ZINC3959783; BDBM50062641
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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) |
198.65 |
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Logarithm of the Partition Coefficient (xlogp) |
1.6 |
Rotatable Bond Count (rotbonds) |
3 |
Hydrogen Bond Donor Count (hbonddonor) |
1 |
Hydrogen Bond Acceptor Count (hbondacc) |
3 |
Chemical Identifiers |
- Formula
- C9H11ClN2O
- IUPAC Name
5-[[(2R)-azetidin-2-yl]methoxy]-2-chloropyridine
- Canonical SMILES
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C1CN[C@H]1COC2=CN=C(C=C2)Cl
- InChI
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InChI=1S/C9H11ClN2O/c10-9-2-1-8(5-12-9)13-6-7-3-4-11-7/h1-2,5,7,11H,3-4,6H2/t7-/m1/s1
- InChIKey
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MKTAGSRKQIGEBH-SSDOTTSWSA-N
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Cross-matching ID |
- PubChem CID
- 3075702
- CAS Number
-
- TTD ID
- D04HYP
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