Molecule card · MolClass #49681
24788058
24788058: 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
- 24788058Mitochondrial Fusion · compound_name
- MolClass ID
- 49681
- InChIKey
- HFXZEKOBEMLDQU-FLFQWRMESA-N
- Canonical SMILES
- CN4C(=O)C(=NC1CCCCC1)c3c5ccccc5(c(O)c2cccc4(c23))
- Standard InChI
- InChI=1S/C23H22N2O2/c1-25-18-13-7-12-17-19(18)20(15-10-5-6-11-16(15)22(17)26)21(23(25)27)24-14-8-3-2-4-9-14/h5-7,10-14,26H,2-4,8-9H2,1H3/b24-21-
- Stored Murcko scaffold
- [N]1[CH]C(=NC2CCCCC2)c3c4ccccc4cc5cccc1c53
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
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 1
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 52.9 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 358.434 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.955
- 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 · 24788058