| Drug Name |
4,5,6,7-tetrahydrofuro[3,4-c]pyridine-1(3H)-one derivative 3
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| Synonyms |
PMID27788040-Compound-2b |
| 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) |
424.6 |
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| Logarithm of the Partition Coefficient (xlogp) |
3.5 |
| Rotatable Bond Count (rotbonds) |
6 |
| Hydrogen Bond Donor Count (hbonddonor) |
0 |
| Hydrogen Bond Acceptor Count (hbondacc) |
4 |
| Chemical Identifiers |
- Formula
- C26H36N2O3
- IUPAC Name
5-[3-(azepan-1-yl)propanoyl]-3-(2-methylpropyl)-3-phenyl-6,7-dihydro-4H-furo[3,4-c]pyridin-1-one - Canonical SMILES
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CC(C)CC1(C2=C(CCN(C2)C(=O)CCN3CCCCCC3)C(=O)O1)C4=CC=CC=C4
- InChI
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InChI=1S/C26H36N2O3/c1-20(2)18-26(21-10-6-5-7-11-21)23-19-28(17-12-22(23)25(30)31-26)24(29)13-16-27-14-8-3-4-9-15-27/h5-7,10-11,20H,3-4,8-9,12-19H2,1-2H3
- InChIKey
-
GPTJWUZEJKIMBY-UHFFFAOYSA-N
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| Cross-matching ID |
- PubChem CID
- 89615787
- TTD ID
- D06TFC
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