Molecule card · MolClass #51362
14745432
14745432: 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
- 14745432Mitochondrial Fusion · compound_name
- MolClass ID
- 51362
- InChIKey
- MQZAMDOECLNBQK-UHFFFAOYSA-N
- Canonical SMILES
- O=C(COC(=O)C23(CC1CC(CC(C1)C2)C3))NC56(CC4CC(CC(C4)C5)C6)
- Standard InChI
- InChI=1S/C23H33NO3/c25-20(24-23-10-17-4-18(11-23)6-19(5-17)12-23)13-27-21(26)22-7-14-1-15(8-22)3-16(2-14)9-22/h14-19H,1-13H2,(H,24,25)
- Stored Murcko scaffold
- O([CH]C12CC3CC(CC(C3)C1)C2)C[CH]NC45CC6CC(CC(C6)C4)C5
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
- 55.4 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 371.514 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 5.249
- 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 · 14745432