Molecule card · MolClass #49826
24780370
24780370: 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
- 24780370Mitochondrial Fusion · compound_name
- MolClass ID
- 49826
- InChIKey
- CQARXOVJXPWBMN-UHFFFAOYSA-N
- Canonical SMILES
- Cc1cccc(c1)c2ncc(cn2)CN4CCCC(CO)(Cc3cccc(c3)Cl)C4
- Standard InChI
- InChI=1S/C25H28ClN3O/c1-19-5-2-7-22(11-19)24-27-14-21(15-28-24)16-29-10-4-9-25(17-29,18-30)13-20-6-3-8-23(26)12-20/h2-3,5-8,11-12,14-15,30H,4,9-10,13,16-18H2,1H3
- Stored Murcko scaffold
- n1cc(cnc1-c2ccccc2)CN3CCCC(Cc4ccccc4)C3
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.
- 24799262#49471
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 4
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 6
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 49.25 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 421.963 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.437
- 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 · 24780370