Molecule card · MolClass #42683
14724238
14724238: 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
- 14724238Mitochondrial Fusion · compound_name
- MolClass ID
- 42683
- InChIKey
- GAPJDZMJFAYXSQ-UHFFFAOYSA-N
- Canonical SMILES
- Cc1ccc(cc1)NC(=O)Cn3nc(c2CCCc23)C(F)(F)F
- Standard InChI
- InChI=1S/C16H16F3N3O/c1-10-5-7-11(8-6-10)20-14(23)9-22-13-4-2-3-12(13)15(21-22)16(17,18)19/h5-8H,2-4,9H2,1H3,(H,20,23)
- Stored Murcko scaffold
- n1cc2c(n1C[CH]Nc3ccccc3)CCC2
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
- 5
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 46.92 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 323.314 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.877
- 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 · 14724238