Molecule card · MolClass #39006
24800661
24800661: 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
- 24800661Mitochondrial Fusion · compound_name
- MolClass ID
- 39006
- InChIKey
- FUVNIYWQYXNILN-UHFFFAOYSA-N
- Canonical SMILES
- COc1cccc(c1)C4CCCN4(Cc3nc(CC2CC2)no3)
- Standard InChI
- InChI=1S/C18H23N3O2/c1-22-15-5-2-4-14(11-15)16-6-3-9-21(16)12-18-19-17(20-23-18)10-13-7-8-13/h2,4-5,11,13,16H,3,6-10,12H2,1H3
- Stored Murcko scaffold
- n1oc(nc1CC2CC2)CN3CCCC3c4ccccc4
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
- 6
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 51.39 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 313.395 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.422
- 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 · 24800661