| Drug Name |
4,5,6,7-tetrahydrofuro[3,4-c]pyridine-1(3H)-one derivative 4
|
| Synonyms |
PMID27788040-Compound-2c |
| 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) |
430.5 |
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| Logarithm of the Partition Coefficient (xlogp) |
3.5 |
| Rotatable Bond Count (rotbonds) |
4 |
| Hydrogen Bond Donor Count (hbonddonor) |
1 |
| Hydrogen Bond Acceptor Count (hbondacc) |
4 |
| Chemical Identifiers |
- Formula
- C27H30N2O3
- IUPAC Name
3-(2-methylpropyl)-3-phenyl-5-(1,2,3,4-tetrahydroisoquinoline-3-carbonyl)-6,7-dihydro-4H-furo[3,4-c]pyridin-1-one - Canonical SMILES
-
CC(C)CC1(C2=C(CCN(C2)C(=O)C3CC4=CC=CC=C4CN3)C(=O)O1)C5=CC=CC=C5
- InChI
-
InChI=1S/C27H30N2O3/c1-18(2)15-27(21-10-4-3-5-11-21)23-17-29(13-12-22(23)26(31)32-27)25(30)24-14-19-8-6-7-9-20(19)16-28-24/h3-11,18,24,28H,12-17H2,1-2H3
- InChIKey
-
XMIBEMVACFABOS-UHFFFAOYSA-N
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| Cross-matching ID |
- PubChem CID
- 78118680
- TTD ID
- D09JFR
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