Molecule card · MolClass #49387
24807957
24807957: 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
- 24807957Mitochondrial Fusion · compound_name
- MolClass ID
- 49387
- InChIKey
- MOUMGPWYIUPMPW-UHFFFAOYSA-N
- Canonical SMILES
- CC(C)(C)c1ccc(cc1)CN4C(=N)N(CC(O)c2ccco2)c3ccccc34
- Standard InChI
- InChI=1S/C24H27N3O2/c1-24(2,3)18-12-10-17(11-13-18)15-26-19-7-4-5-8-20(19)27(23(26)25)16-21(28)22-9-6-14-29-22/h4-14,21,25,28H,15-16H2,1-3H3
- Stored Murcko scaffold
- o1cccc1CCN2[CH]N(c3ccccc32)Cc4ccccc4
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
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 6
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 63.7 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 389.491 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 6.084
- 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 · 24807957