Molecule card · MolClass #41499
14725500
14725500: 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
- 14725500Mitochondrial Fusion · compound_name
- MolClass ID
- 41499
- InChIKey
- SOCYANDJFUTRBZ-UHFFFAOYSA-N
- Canonical SMILES
- O=C(Cn2nc(c1CCCc12)C(F)(F)F)NCc3ccc(cc3)Cl
- Standard InChI
- InChI=1S/C16H15ClF3N3O/c17-11-6-4-10(5-7-11)8-21-14(24)9-23-13-3-1-2-12(13)15(22-23)16(18,19)20/h4-7H,1-3,8-9H2,(H,21,24)
- Stored Murcko scaffold
- n1cc2c(n1C[CH]NCc3ccccc3)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
- 6
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 46.92 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 357.759 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.206
- 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 · 14725500