Molecule card · MolClass #50985
17412345
17412345: 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
- 17412345Mitochondrial Fusion · compound_name
- MolClass ID
- 50985
- InChIKey
- YVVXFSUFBIJTJU-UHFFFAOYSA-N
- Canonical SMILES
- CC1CC(c2ccccc2(N1))N(c3ccccc3)C(=O)c4ccccc4Cl
- Standard InChI
- InChI=1S/C23H21ClN2O/c1-16-15-22(19-12-6-8-14-21(19)25-16)26(17-9-3-2-4-10-17)23(27)18-11-5-7-13-20(18)24/h2-14,16,22,25H,15H2,1H3
- Stored Murcko scaffold
- c1ccc(cc1)[CH]N(c2ccccc2)C3c4ccccc4NCC3
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
- 3
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 32.34 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 376.879 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 5.824
- 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 · 17412345