Molecule card · MolClass #49091
24826636
24826636: 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
- 24826636Mitochondrial Fusion · compound_name
- MolClass ID
- 49091
- InChIKey
- SJLCNDQCMAYZLA-UHFFFAOYSA-N
- Canonical SMILES
- COc1ccc(cc1)C3CC(=NN3(C(=O)COC(=O)C2(C)(CC2(Cl)Cl)))c4ccccc4
- Standard InChI
- InChI=1S/C23H22Cl2N2O4/c1-22(14-23(22,24)25)21(29)31-13-20(28)27-19(16-8-10-17(30-2)11-9-16)12-18(26-27)15-6-4-3-5-7-15/h3-11,19H,12-14H2,1-2H3
- Stored Murcko scaffold
- N1=C(c2ccccc2)CC(c3ccccc3)N1[CH]CO[CH]C4CC4
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
- 5
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 8
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 68.2 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 461.339 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.607
- 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 · 24826636