Molecule card · MolClass #52042
4263300
4263300: 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
- 4263300Mitochondrial Fusion · compound_name
- MolClass ID
- 52042
- InChIKey
- RFCWKIKZPSTFMM-UHFFFAOYSA-N
- Canonical SMILES
- O=C(NCc1ccc2OCOc2(c1))c3ccc(o3)c4ccc(cc4)Cl
- Standard InChI
- InChI=1S/C19H14ClNO4/c20-14-4-2-13(3-5-14)15-7-8-17(25-15)19(22)21-10-12-1-6-16-18(9-12)24-11-23-16/h1-9H,10-11H2,(H,21,22)
- Stored Murcko scaffold
- o1c(ccc1-c2ccccc2)[CH]NCc3ccc4OCOc4c3
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
- 2
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 5
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 60.7 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 355.772 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.901
- 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 · 4263300