Molecule card · MolClass #44298
7966898
7966898: molecular structure, identifiers, source datasets and 0 saved model results in MolClass.
1 source records · 0 model builds with saved results
Explore classification modelsStructure and identifiers
- Imported compound names
- 7966898Mitochondrial Fusion · compound_name
- MolClass ID
- 44298
- InChIKey
- MFTHFDKNNLONRG-UHFFFAOYSA-N
- Canonical SMILES
- CC1CCC3(CC1)(OC(=O)C(C)=C3(C(=O)NCCN2CCOCC2))
- Standard InChI
- InChI=1S/C18H28N2O4/c1-13-3-5-18(6-4-13)15(14(2)17(22)24-18)16(21)19-7-8-20-9-11-23-12-10-20/h13H,3-12H2,1-2H3,(H,19,21)
- Stored Murcko scaffold
- O1[CH]C=C([CH]NCCN2CCOCC2)C13CCCCC3
Registry normalization: MIGRATED_RAW. A registry entry does not establish drug approval or clinical use.
Molecules with the same Murcko scaffold
Exact matches to the stored ring-and-linker framework. Sharing a scaffold does not by itself establish activity or applicability to a model.
No other molecules currently have this stored scaffold.
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 6
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 5
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 67.87 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 336.427 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.061
- CDK 2.12 · 2026-08-19
Saved model predictions
Computational predictions, not experimental measurements or clinical guidance. Results depend on the model build; applicability indicates similarity to its training chemistry.
No saved predictions yet. Explore classification models to choose a prediction.
Source datasets
Dataset registrations and identifiers stored in MolClass.
Mitochondrial Fusion
Dataset #19 · 7966898