Molecule card · MolClass #38141
4244083
4244083: 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
- 4244083Mitochondrial Fusion · compound_name
- MolClass ID
- 38141
- InChIKey
- RLOAOVWZVUHPEY-UHFFFAOYSA-N
- Canonical SMILES
- COc1ccc2OC3(C)(CC(c2(c1))C(C(=O)N3)C(=O)c4ccccc4)
- Standard InChI
- InChI=1S/C20H19NO4/c1-20-11-15(14-10-13(24-2)8-9-16(14)25-20)17(19(23)21-20)18(22)12-6-4-3-5-7-12/h3-10,15,17H,11H2,1-2H3,(H,21,23)
- Stored Murcko scaffold
- O1c2ccccc2C3CC1N[CH]C3[CH]c4ccccc4
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.
- 3121643#17567
- ZINC03911473#23578
- 7966760#38352
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
- 64.63 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 337.37 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.207
- 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 · 4244083