Molecule card · MolClass #46272
24804455
24804455: 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
- 24804455Mitochondrial Fusion · compound_name
- MolClass ID
- 46272
- InChIKey
- MAIUROUKGUOFLR-UHFFFAOYSA-N
- Canonical SMILES
- Cc1ccc(cc1)OCCn2cnc(c2Cl)Cl
- Standard InChI
- InChI=1S/C12H12Cl2N2O/c1-9-2-4-10(5-3-9)17-7-6-16-8-15-11(13)12(16)14/h2-5,8H,6-7H2,1H3
- Stored Murcko scaffold
- n1ccn(c1)CCOc2ccccc2
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.
- 24796704#29826
- 49679097#30584
- 22415207#49871
- 14739089#51518
- Cc1cc(C)cc(OCCn2ccnc2)c1#153469
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 1
- 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
- 27.05 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 271.143 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.008
- 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 · 24804455