Molecule card · MolClass #41466
24783560
24783560: 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
- 24783560Mitochondrial Fusion · compound_name
- MolClass ID
- 41466
- InChIKey
- CZJQOHGRBRUYOP-UHFFFAOYSA-N
- Canonical SMILES
- COc1cccc(c1)C3CCCN3(Cc2nc(CCC(C)C)no2)
- Standard InChI
- InChI=1S/C19H27N3O2/c1-14(2)9-10-18-20-19(24-21-18)13-22-11-5-8-17(22)15-6-4-7-16(12-15)23-3/h4,6-7,12,14,17H,5,8-11,13H2,1-3H3
- Stored Murcko scaffold
- n1oc(nc1)CN2CCCC2c3ccccc3
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
- 7
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 51.39 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 329.437 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.331
- 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 · 24783560