Molecule card · MolClass #41885
24791099
24791099: 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
- 24791099Mitochondrial Fusion · compound_name
- MolClass ID
- 41885
- InChIKey
- ZMHSMCBMJMLQHH-UHFFFAOYSA-N
- Canonical SMILES
- N#CC1(CCN(CC1)C4CC(=O)N(c2ccc3OCOc3(c2))C4(=O))c5ccccc5
- Standard InChI
- InChI=1S/C23H21N3O4/c24-14-23(16-4-2-1-3-5-16)8-10-25(11-9-23)18-13-21(27)26(22(18)28)17-6-7-19-20(12-17)30-15-29-19/h1-7,12,18H,8-11,13,15H2
- Stored Murcko scaffold
- O1c2ccc(cc2OC1)N3[CH]CC([CH]3)N4CCC(c5ccccc5)CC4
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
- 5
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 3
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 82.87 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 403.431 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.959
- 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 · 24791099