Molecule card · MolClass #41157
24806007
24806007: 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
- 24806007Mitochondrial Fusion · compound_name
- MolClass ID
- 41157
- InChIKey
- TVYGDDMZPBKRPM-UHFFFAOYSA-N
- Canonical SMILES
- Cc1ccc4c(c1)c2CCCC3c2n4(CCN3(C(C)=O))
- Standard InChI
- InChI=1S/C17H20N2O/c1-11-6-7-15-14(10-11)13-4-3-5-16-17(13)19(15)9-8-18(16)12(2)20/h6-7,10,16H,3-5,8-9H2,1-2H3
- Stored Murcko scaffold
- [N]1CCn2c3ccccc3c4c2C1CCC4
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
- 2
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 1
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 25.24 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 268.354 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.146
- 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 · 24806007