Molecule card · MolClass #45448
14735614
14735614: 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
- 14735614Mitochondrial Fusion · compound_name
- MolClass ID
- 45448
- InChIKey
- QOHAOSJBKPCKFH-UHFFFAOYSA-N
- Canonical SMILES
- Cc3cccc(NC(=O)C2NC(=O)CC2(c1ccccc1))c3(C)
- Standard InChI
- InChI=1S/C19H20N2O2/c1-12-7-6-10-16(13(12)2)20-19(23)18-15(11-17(22)21-18)14-8-4-3-5-9-14/h3-10,15,18H,11H2,1-2H3,(H,20,23)(H,21,22)
- Stored Murcko scaffold
- c1ccc(cc1)N[CH]C2N[CH]CC2c3ccccc3
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
- 4
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 58.2 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 308.375 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.572
- 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 · 14735614