Molecule card · MolClass #39725
24788431
24788431: 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
- 24788431Mitochondrial Fusion · compound_name
- MolClass ID
- 39725
- InChIKey
- KNDPBGKEWMNDQN-UHFFFAOYSA-N
- Canonical SMILES
- CC(=O)N3c4ccccc4(N=C1CCCC(O)=C1C3(c2ccco2))
- Standard InChI
- InChI=1S/C19H18N2O3/c1-12(22)21-15-8-3-2-6-13(15)20-14-7-4-9-16(23)18(14)19(21)17-10-5-11-24-17/h2-3,5-6,8,10-11,19,23H,4,7,9H2,1H3
- Stored Murcko scaffold
- N=1c2ccccc2[N]C(c3occc3)C4=CCCCC14
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
- 2
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 66.04 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 322.359 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.15
- 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 · 24788431