Molecule card · MolClass #49526
24795145
24795145: 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
- 24795145Mitochondrial Fusion · compound_name
- MolClass ID
- 49526
- InChIKey
- HUEQBQBFEDPHSG-UHFFFAOYSA-N
- Canonical SMILES
- O=C3c5cccc4cccc(C(=O)N3(CCCN1CCN(CC1)c2ccc(F)cc2))c45
- Standard InChI
- InChI=1S/C25H24FN3O2/c26-19-8-10-20(11-9-19)28-16-14-27(15-17-28)12-3-13-29-24(30)21-6-1-4-18-5-2-7-22(23(18)21)25(29)31/h1-2,4-11H,3,12-17H2
- Stored Murcko scaffold
- c1ccc(cc1)N2CCN(CC2)CCCN3[CH]c4cccc5cccc([CH]3)c54
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
- 5
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 43.86 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 417.476 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.703
- 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 · 24795145