Molecule card · MolClass #40640
24785816
24785816: 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
- 24785816Mitochondrial Fusion · compound_name
- MolClass ID
- 40640
- InChIKey
- CPLZIACUIYGDOJ-UHFFFAOYSA-N
- Canonical SMILES
- CC=3CCCC(C)(C)C=3(CCN2CCN(C1CCCC1)C(CCO)C2)
- Standard InChI
- InChI=1S/C22H40N2O/c1-18-7-6-12-22(2,3)21(18)10-13-23-14-15-24(19-8-4-5-9-19)20(17-23)11-16-25/h19-20,25H,4-17H2,1-3H3
- Stored Murcko scaffold
- C1=C(CCN2CCN(CC2)C3CCCC3)CCCC1
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
- 6
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 26.71 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 348.567 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.787
- 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 · 24785816