Molecule card · MolClass #49058
24835426
24835426: 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
- 24835426Mitochondrial Fusion · compound_name
- MolClass ID
- 49058
- InChIKey
- DRWPJBUUVULMQK-UHFFFAOYSA-N
- Canonical SMILES
- CCN(CCNCC(O)COCc1ccc(cc1)Cl)c2cccc(C)c2
- Standard InChI
- InChI=1S/C21H29ClN2O2/c1-3-24(20-6-4-5-17(2)13-20)12-11-23-14-21(25)16-26-15-18-7-9-19(22)10-8-18/h4-10,13,21,23,25H,3,11-12,14-16H2,1-2H3
- Stored Murcko scaffold
- O(Cc1ccccc1)CCCNCCNc2ccccc2
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
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 11
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 44.73 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 376.921 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.175
- 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 · 24835426