Molecule card · MolClass #51935
14718845
14718845: 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
- 14718845Mitochondrial Fusion · compound_name
- MolClass ID
- 51935
- InChIKey
- UWCZSBKZDIBKCQ-UHFFFAOYSA-N
- Canonical SMILES
- Cc3noc(COc2ccccc2(OCc1onc(C)c1Cl))c3Cl
- Standard InChI
- InChI=1S/C16H14Cl2N2O4/c1-9-15(17)13(23-19-9)7-21-11-5-3-4-6-12(11)22-8-14-16(18)10(2)20-24-14/h3-6H,7-8H2,1-2H3
- Stored Murcko scaffold
- n1oc(cc1)COc2ccccc2OCc3oncc3
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
- 0
- 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
- 70.52 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 369.2 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.984
- 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 · 14718845