Molecule card · MolClass #45266
24784514
24784514: 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
- 24784514Mitochondrial Fusion · compound_name
- MolClass ID
- 45266
- InChIKey
- SXCMNKSDLJDFTB-UHFFFAOYSA-N
- Canonical SMILES
- CC(C)(C)C3=C(C(O)=C(c1ccccc1)C(=O)N3(c2ccccc2))Cl
- Standard InChI
- InChI=1S/C21H20ClNO2/c1-21(2,3)19-17(22)18(24)16(14-10-6-4-7-11-14)20(25)23(19)15-12-8-5-9-13-15/h4-13,24H,1-3H3
- Stored Murcko scaffold
- c1ccc(cc1)C2=CC=CN([CH]2)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
- 3
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 3
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 40.54 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 353.843 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.932
- 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 · 24784514