Molecule card · MolClass #43032
24797877
24797877: 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
- 24797877Mitochondrial Fusion · compound_name
- MolClass ID
- 43032
- InChIKey
- DGCLRLPWJIZJFG-UHFFFAOYSA-N
- Canonical SMILES
- COc1ccccc1n2cc(cn2)CN3CCN(CC(C)C)C(CCO)C3
- Standard InChI
- InChI=1S/C21H32N4O2/c1-17(2)13-24-10-9-23(16-19(24)8-11-26)14-18-12-22-25(15-18)20-6-4-5-7-21(20)27-3/h4-7,12,15,17,19,26H,8-11,13-14,16H2,1-3H3
- Stored Murcko scaffold
- n1cc(cn1-c2ccccc2)CN3CCNCC3
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.
- 24798621#43142
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
- 8
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 53.76 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 372.505 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.191
- 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 · 24797877