Molecule card · MolClass #51468
14741797
14741797: 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
- 14741797Mitochondrial Fusion · compound_name
- MolClass ID
- 51468
- InChIKey
- RBZBREHMJDJRDP-UHFFFAOYSA-N
- Canonical SMILES
- O=C(Nc1ccc(cc1)Cl)NC3CCCCC3(Cc2ccco2)
- Standard InChI
- InChI=1S/C18H21ClN2O2/c19-14-7-9-15(10-8-14)20-18(22)21-17-6-2-1-4-13(17)12-16-5-3-11-23-16/h3,5,7-11,13,17H,1-2,4,6,12H2,(H2,20,21,22)
- Stored Murcko scaffold
- o1cccc1CC2CCCCC2N[CH]Nc3ccccc3
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
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 6
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 54.27 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 332.825 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.805
- 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 · 14741797