Molecule card · MolClass #41365
845776
845776: 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
- 845776Mitochondrial Fusion · compound_name
- MolClass ID
- 41365
- InChIKey
- WCPKXIBWJHREPV-LGMDPLHJSA-N
- Canonical SMILES
- CCC3(C)(Cc1ccccc1C(=CC(=O)N2CCCCC2)N3)
- Standard InChI
- InChI=1S/C19H26N2O/c1-3-19(2)14-15-9-5-6-10-16(15)17(20-19)13-18(22)21-11-7-4-8-12-21/h5-6,9-10,13,20H,3-4,7-8,11-12,14H2,1-2H3/b17-13-
- Stored Murcko scaffold
- c1ccc2c(c1)C(=C[CH]N3CCCCC3)NCC2
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
- 3
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 3
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 32.34 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 298.423 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.186
- 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 · 845776