Molecule card · MolClass #46692
7965339
7965339: 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
- 7965339Mitochondrial Fusion · compound_name
- MolClass ID
- 46692
- InChIKey
- VUNCBPWBGIKWBS-UHFFFAOYSA-N
- Canonical SMILES
- CCOC(=O)C1CCN(CC1)C=4C(=O)C(=O)C=4(NC3CCCc2ccccc23)
- Standard InChI
- InChI=1S/C22H26N2O4/c1-2-28-22(27)15-10-12-24(13-11-15)19-18(20(25)21(19)26)23-17-9-5-7-14-6-3-4-8-16(14)17/h3-4,6,8,15,17,23H,2,5,7,9-13H2,1H3
- Stored Murcko scaffold
- c1ccc2c(c1)CCCC2NC=3[CH][CH]C3N4CCCCC4
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
- 6
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 75.71 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 382.454 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.8
- 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 · 7965339