Molecule card · MolClass #51110
17408632
17408632: 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
- 17408632Mitochondrial Fusion · compound_name
- MolClass ID
- 51110
- InChIKey
- WLDJPNMYEPQBQE-UHFFFAOYSA-N
- Canonical SMILES
- Cc1cc(oc1C(=O)N(CC(=O)NC2CCCC2)Cc3ccccc3Cl)C(C)(C)C
- Standard InChI
- InChI=1S/C24H31ClN2O3/c1-16-13-20(24(2,3)4)30-22(16)23(29)27(14-17-9-5-8-12-19(17)25)15-21(28)26-18-10-6-7-11-18/h5,8-9,12-13,18H,6-7,10-11,14-15H2,1-4H3,(H,26,28)
- Stored Murcko scaffold
- o1cccc1[CH]N(C[CH]NC2CCCC2)Cc3ccccc3
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
- 4
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 9
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 62.55 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 430.968 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.196
- 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 · 17408632