Molecule card · MolClass #52149
4249497
4249497: 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
- 4249497Mitochondrial Fusion · compound_name
- MolClass ID
- 52149
- InChIKey
- WMFOPLJIWZTKHV-UHFFFAOYSA-N
- Canonical SMILES
- O=C(C2CC2(c1ccccc1))N3CCN(CC3)c4cccc(c4)Cl
- Standard InChI
- InChI=1S/C20H21ClN2O/c21-16-7-4-8-17(13-16)22-9-11-23(12-10-22)20(24)19-14-18(19)15-5-2-1-3-6-15/h1-8,13,18-19H,9-12,14H2
- Stored Murcko scaffold
- c1ccc(cc1)N2CCN([CH]C3CC3c4ccccc4)CC2
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
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 23.55 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 340.847 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.991
- 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 · 4249497