Molecule card · MolClass #48805
24831122
24831122: 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
- 24831122Mitochondrial Fusion · compound_name
- MolClass ID
- 48805
- InChIKey
- ZBMDALAYLCSCBQ-UHFFFAOYSA-N
- Canonical SMILES
- O=C(Cc1ccc(cc1Cl)Cl)NCC2(CCCCC2)N3CCOCC3
- Standard InChI
- InChI=1S/C19H26Cl2N2O2/c20-16-5-4-15(17(21)13-16)12-18(24)22-14-19(6-2-1-3-7-19)23-8-10-25-11-9-23/h4-5,13H,1-3,6-12,14H2,(H,22,24)
- Stored Murcko scaffold
- O1CCN(CC1)C2(CN[CH]Cc3ccccc3)CCCCC2
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
- 6
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 41.57 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 385.329 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.758
- 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 · 24831122