Molecule card · MolClass #48946
24833068
24833068: 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
- 24833068Mitochondrial Fusion · compound_name
- MolClass ID
- 48946
- InChIKey
- SFHLKCGDYOLVAX-UHFFFAOYSA-N
- Canonical SMILES
- CCOc1ccc(cc1)N2C=C(C=C(C#N)C2(=O))C(=O)c3cc(ccc3(O))Cl
- Standard InChI
- InChI=1S/C21H15ClN2O4/c1-2-28-17-6-4-16(5-7-17)24-12-14(9-13(11-23)21(24)27)20(26)18-10-15(22)3-8-19(18)25/h3-10,12,25H,2H2,1H3
- Stored Murcko scaffold
- c1ccc(cc1)[CH]C=2C=C[CH]N(C2)c3ccccc3
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
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 5
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 90.63 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 394.809 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.691
- 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 · 24833068