Molecule card · MolClass #51563
14736369
14736369: 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
- 14736369Mitochondrial Fusion · compound_name
- MolClass ID
- 51563
- InChIKey
- KGYWRBHKJVRKEV-UHFFFAOYSA-N
- Canonical SMILES
- CC2CC(c1ccccc1N2C(=O)c3ccco3)N(c4ccccc4)C(=O)c5ccc(cc5)Cl
- Standard InChI
- InChI=1S/C28H23ClN2O3/c1-19-18-25(23-10-5-6-11-24(23)30(19)28(33)26-12-7-17-34-26)31(22-8-3-2-4-9-22)27(32)20-13-15-21(29)16-14-20/h2-17,19,25H,18H2,1H3
- Stored Murcko scaffold
- o1cccc1[CH]N2c3ccccc3C(N([CH]c4ccccc4)c5ccccc5)CC2
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
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 6
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 53.76 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 470.948 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 5.991
- 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 · 14736369