Molecule card · MolClass #49353
24810566
24810566: 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
- 24810566Mitochondrial Fusion · compound_name
- MolClass ID
- 49353
- InChIKey
- RORIJCSRDCVUQX-UHFFFAOYSA-N
- Canonical SMILES
- CCN4C=CC(=Cc2ccc1ccccc1[n+]2(C))c3ccc(C)cc34
- Standard InChI
- InChI=1S/C23H23N2/c1-4-25-14-13-19(21-12-9-17(2)15-23(21)25)16-20-11-10-18-7-5-6-8-22(18)24(20)3/h5-16H,4H2,1-3H3/q+1
- Stored Murcko scaffold
- c1ccc2[nH+]c(ccc2c1)C=C3C=CNc4ccccc34
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.
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 1
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 2
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 7.12 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 327.443 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 7.302
- 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 · 24810566