Molecule card · MolClass #45296
14735984
14735984: 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
- 14735984Mitochondrial Fusion · compound_name
- MolClass ID
- 45296
- InChIKey
- TXXPHWMGKXGHGL-UHFFFAOYSA-N
- Canonical SMILES
- O=[N+]([O-])c3ccccc3(CNC(Cc1ccccc1)c2ccccc2)
- Standard InChI
- InChI=1S/C21H20N2O2/c24-23(25)21-14-8-7-13-19(21)16-22-20(18-11-5-2-6-12-18)15-17-9-3-1-4-10-17/h1-14,20,22H,15-16H2
- Stored Murcko scaffold
- c1ccc(cc1)CNC(c2ccccc2)Cc3ccccc3
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
- 1
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 7
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 55.17 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 332.396 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 5.107
- 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 · 14735984