Molecule card · MolClass #49466
24799669
24799669: 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
- 24799669Mitochondrial Fusion · compound_name
- MolClass ID
- 49466
- InChIKey
- BCGMXKJUZYVGMJ-UHFFFAOYSA-N
- Canonical SMILES
- CCOC(=O)C2(CCCc1ccccc1)(CCN(CC2)Cc3nccn3(CC))
- Standard InChI
- InChI=1S/C23H33N3O2/c1-3-26-18-15-24-21(26)19-25-16-13-23(14-17-25,22(27)28-4-2)12-8-11-20-9-6-5-7-10-20/h5-7,9-10,15,18H,3-4,8,11-14,16-17,19H2,1-2H3
- Stored Murcko scaffold
- n1cc[nH]c1CN2CCC(CC2)CCCc3ccccc3
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
- 4
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 10
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 47.36 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 383.528 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.894
- 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 · 24799669