Molecule card · MolClass #38563
24800465
24800465: 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
- 24800465Mitochondrial Fusion · compound_name
- MolClass ID
- 38563
- InChIKey
- MJOMBSJAEKJEFA-JTAQYXEDSA-N
- Canonical SMILES
- COC(=O)c1ccc(cc1)C3CC5CN(Cc2cccnc2)C(=O)C45(CCCN34)
- Standard InChI
- InChI=1S/C23H25N3O3/c1-29-21(27)18-7-5-17(6-8-18)20-12-19-15-25(14-16-4-2-10-24-13-16)22(28)23(19)9-3-11-26(20)23/h2,4-8,10,13,19-20H,3,9,11-12,14-15H2,1H3/t19-,20-,23-/m0/s1
- Stored Murcko scaffold
- n1cccc(c1)CN2[CH]C34N(CCC3)C(c5ccccc5)CC4C2
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
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 5
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 62.74 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 391.464 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.05
- 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 · 24800465