Molecule card · MolClass #40237
24782093
24782093: 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
- 24782093Mitochondrial Fusion · compound_name
- MolClass ID
- 40237
- InChIKey
- TVRVZYOULGILBW-UHFFFAOYSA-N
- Canonical SMILES
- Cc4ccc(CN3CCN(Cc1cc(O)c2ccccc2(n1))CC3(CCO))o4
- Standard InChI
- InChI=1S/C22H27N3O3/c1-16-6-7-19(28-16)15-25-10-9-24(14-18(25)8-11-26)13-17-12-22(27)20-4-2-3-5-21(20)23-17/h2-7,12,18,26H,8-11,13-15H2,1H3,(H,23,27)
- Stored Murcko scaffold
- n1c2ccccc2ccc1CN3CCN(Cc4occc4)CC3
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
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 6
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 72.97 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 381.469 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.531
- 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 · 24782093