Molecule card · MolClass #49095
24825379
24825379: 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
- 24825379Mitochondrial Fusion · compound_name
- MolClass ID
- 49095
- InChIKey
- ZXLYQIGBMNBIGR-RUDMXATFSA-N
- Canonical SMILES
- CN1CCN(CC1)c3ccc(cc3(NC(=O)C=Cc2ccc(F)cc2))Cl
- Standard InChI
- InChI=1S/C20H21ClFN3O/c1-24-10-12-25(13-11-24)19-8-5-16(21)14-18(19)23-20(26)9-4-15-2-6-17(22)7-3-15/h2-9,14H,10-13H2,1H3,(H,23,26)/b9-4+
- Stored Murcko scaffold
- c1ccc(cc1)C=C[CH]Nc2ccccc2N3CCNCC3
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
- 4
- 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
- 35.58 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 373.852 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.02
- 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 · 24825379