Molecule card · MolClass #45207
24800342
24800342: 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
- 24800342Mitochondrial Fusion · compound_name
- MolClass ID
- 45207
- InChIKey
- JEOIWVMAJLKNEW-UHFFFAOYSA-N
- Canonical SMILES
- OCC1(CCN(CC1)C(=O)C3CC23(CCCC2))Cc4ccccc4Cl
- Standard InChI
- InChI=1S/C21H28ClNO2/c22-18-6-2-1-5-16(18)13-20(15-24)9-11-23(12-10-20)19(25)17-14-21(17)7-3-4-8-21/h1-2,5-6,17,24H,3-4,7-15H2
- Stored Murcko scaffold
- c1ccc(cc1)CC2CCN([CH]C3CC43CCCC4)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
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 5
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 40.54 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 361.906 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.461
- 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 · 24800342