Molecule card · MolClass #50542
17509285
17509285: 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
- 17509285Mitochondrial Fusion · compound_name
- MolClass ID
- 50542
- InChIKey
- AVHBLRIXAMGOGR-UHFFFAOYSA-N
- Canonical SMILES
- CC1CCCN(C1)C(=O)Cc3cn(Cc2cccc(c2)Cl)c4ccccc34
- Standard InChI
- InChI=1S/C23H25ClN2O/c1-17-6-5-11-25(14-17)23(27)13-19-16-26(22-10-3-2-9-21(19)22)15-18-7-4-8-20(24)12-18/h2-4,7-10,12,16-17H,5-6,11,13-15H2,1H3
- Stored Murcko scaffold
- c1ccc(cc1)Cn2cc(c3ccccc32)C[CH]N4CCCCC4
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
- 2
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 5
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 25.24 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 380.911 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 5.286
- 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 · 17509285