Molecule card · MolClass #45063
24791186
24791186: 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
- 24791186Mitochondrial Fusion · compound_name
- MolClass ID
- 45063
- InChIKey
- JYGFJAIEAMRPNW-UHFFFAOYSA-N
- Canonical SMILES
- CCC3(CC)(Cc1ccccc1C2=C(C(=O)C(=O)N23)C(=O)N4CCCCC4)
- Standard InChI
- InChI=1S/C22H26N2O3/c1-3-22(4-2)14-15-10-6-7-11-16(15)18-17(19(25)21(27)24(18)22)20(26)23-12-8-5-9-13-23/h6-7,10-11H,3-5,8-9,12-14H2,1-2H3
- Stored Murcko scaffold
- c1ccc2c(c1)-c3c(ccn3CC2)[CH]N4CCCCC4
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
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 57.69 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 366.454 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.092
- 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 · 24791186