Molecule card · MolClass #43162
24812125
24812125: 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
- 24812125Mitochondrial Fusion · compound_name
- MolClass ID
- 43162
- InChIKey
- NTEDXMITGVZKML-UHFFFAOYSA-N
- Canonical SMILES
- CN(Cc1ccccc1)C(=O)C(C(=O)c2ccc(F)cc2)N3C=C(C=CC3(=O))Cl
- Standard InChI
- InChI=1S/C22H18ClFN2O3/c1-25(13-15-5-3-2-4-6-15)22(29)20(26-14-17(23)9-12-19(26)27)21(28)16-7-10-18(24)11-8-16/h2-12,14,20H,13H2,1H3
- Stored Murcko scaffold
- [N]([CH]C([CH]c1ccccc1)N2C=CC=C[CH]2)Cc3ccccc3
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
- 7
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 57.69 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 412.842 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.597
- 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 · 24812125