Molecule card · MolClass #46851
24796381
24796381: 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
- 24796381Mitochondrial Fusion · compound_name
- MolClass ID
- 46851
- InChIKey
- IZVNZHLVLWQUKU-UHFFFAOYSA-N
- Canonical SMILES
- Cc1ccccc1N3C(=O)CN(C(=O)C3(c2ccc(F)cc2))C(C)(C)C
- Standard InChI
- InChI=1S/C21H23FN2O2/c1-14-7-5-6-8-17(14)24-18(25)13-23(21(2,3)4)20(26)19(24)15-9-11-16(22)12-10-15/h5-12,19H,13H2,1-4H3
- Stored Murcko scaffold
- [N]1[CH]C(c2ccccc2)N([CH]C1)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
- 4
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 3
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 40.62 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 354.419 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.456
- 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 · 24796381