Molecule card · MolClass #47083
14726044
14726044: 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
- 14726044Mitochondrial Fusion · compound_name
- MolClass ID
- 47083
- InChIKey
- KNMWVEZKOYZTHO-UHFFFAOYSA-N
- Canonical SMILES
- O=C(Nc1cccnc1Cl)C3c4ccccc4(Oc2ccccc23)
- Standard InChI
- InChI=1S/C19H13ClN2O2/c20-18-14(8-5-11-21-18)22-19(23)17-12-6-1-3-9-15(12)24-16-10-4-2-7-13(16)17/h1-11,17H,(H,22,23)
- Stored Murcko scaffold
- n1cccc(c1)N[CH]C2c3ccccc3Oc4ccccc42
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
- 3
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 51.22 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 336.772 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.39
- 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 · 14726044