Molecule card · MolClass #48677
4257297
4257297: 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
- 4257297Mitochondrial Fusion · compound_name
- MolClass ID
- 48677
- InChIKey
- CMZSOGZRDVOLOM-UHFFFAOYSA-N
- Canonical SMILES
- CN(C(=O)CCN2C(=O)C(C)(C)Nc1ccccc12)c3ccccc3
- Standard InChI
- InChI=1S/C20H23N3O2/c1-20(2)19(25)23(17-12-8-7-11-16(17)21-20)14-13-18(24)22(3)15-9-5-4-6-10-15/h4-12,21H,13-14H2,1-3H3
- Stored Murcko scaffold
- [N]([CH]CCN1[CH]CNc2ccccc21)c3ccccc3
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
- 5
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 5
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 52.65 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 337.416 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.629
- 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 · 4257297