| Drug Name |
4,5,6,7-tetrahydrofuro[3,4-c]pyridine-1(3H)-one derivative 2
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| Synonyms |
PMID27788040-Compound-2a |
| 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): 1 |
Molecular Weight (mw) |
502.6 |
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| Logarithm of the Partition Coefficient (xlogp) |
3.6 |
| Rotatable Bond Count (rotbonds) |
6 |
| Hydrogen Bond Donor Count (hbonddonor) |
1 |
| Hydrogen Bond Acceptor Count (hbondacc) |
5 |
| Chemical Identifiers |
- Formula
- C30H38N4O3
- IUPAC Name
N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]-3-(2-methylpropyl)-1-oxo-3-phenyl-6,7-dihydro-4H-furo[3,4-c]pyridine-5-carboxamide - Canonical SMILES
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CC(C)CC1(C2=C(CCN(C2)C(=O)NCC3=CC=CC=C3N4CCN(CC4)C)C(=O)O1)C5=CC=CC=C5
- InChI
-
InChI=1S/C30H38N4O3/c1-22(2)19-30(24-10-5-4-6-11-24)26-21-34(14-13-25(26)28(35)37-30)29(36)31-20-23-9-7-8-12-27(23)33-17-15-32(3)16-18-33/h4-12,22H,13-21H2,1-3H3,(H,31,36)
- InChIKey
-
VAJNMLPRDFYTCT-UHFFFAOYSA-N
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| Cross-matching ID |
- PubChem CID
- 89615818
- TTD ID
- D0K1ZY
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