Molecule card · MolClass #51355
14745756
14745756: 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
- 14745756Mitochondrial Fusion · compound_name
- MolClass ID
- 51355
- InChIKey
- XABCBHHVDARRPX-UHFFFAOYSA-N
- Canonical SMILES
- CC2Cc1ccccc1N2C(=O)CN4C(=O)C=C(O)c3ccccc34
- Standard InChI
- InChI=1S/C20H18N2O3/c1-13-10-14-6-2-4-8-16(14)22(13)20(25)12-21-17-9-5-3-7-15(17)18(23)11-19(21)24/h2-9,11,13,23H,10,12H2,1H3
- Stored Murcko scaffold
- c1ccc2c(c1)C=C[CH]N2C[CH]N3c4ccccc4CC3
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
- 3
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 60.85 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 334.369 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.49
- 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 · 14745756