Molecule card · MolClass #37396
24829927
24829927: 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
- 24829927Mitochondrial Fusion · compound_name
- MolClass ID
- 37396
- InChIKey
- LWAXDVVBVHYRKL-UHFFFAOYSA-N
- Canonical SMILES
- CN(C(=O)c1ccc(nc1)Cl)C2(CCCCC2(=O))c3ccccc3Cl
- Standard InChI
- InChI=1S/C19H18Cl2N2O2/c1-23(18(25)13-9-10-17(21)22-12-13)19(11-5-4-8-16(19)24)14-6-2-3-7-15(14)20/h2-3,6-7,9-10,12H,4-5,8,11H2,1H3
- Stored Murcko scaffold
- n1cccc(c1)[CH][N]C2([CH]CCCC2)c3ccccc3
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
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 50.27 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 377.265 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.657
- 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 · 24829927