Molecule card · MolClass #46588
24783775
24783775: 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
- 24783775Mitochondrial Fusion · compound_name
- MolClass ID
- 46588
- InChIKey
- WZKOMTCMYXKINS-UHFFFAOYSA-N
- Canonical SMILES
- CN(C)C(=O)c4nc1ccc(cn1c4(CN2CCCC(C2)OCc3ccccc3))Cl
- Standard InChI
- InChI=1S/C23H27ClN4O2/c1-26(2)23(29)22-20(28-13-18(24)10-11-21(28)25-22)15-27-12-6-9-19(14-27)30-16-17-7-4-3-5-8-17/h3-5,7-8,10-11,13,19H,6,9,12,14-16H2,1-2H3
- Stored Murcko scaffold
- n1cc(n2ccccc12)CN3CCCC(OCc4ccccc4)C3
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
- 7
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 50.08 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 426.94 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.005
- 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 · 24783775