Molecule card · MolClass #43716
24799391
24799391: 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
- 24799391Mitochondrial Fusion · compound_name
- MolClass ID
- 43716
- InChIKey
- RZVXNZQDCDSEMS-UHFFFAOYSA-N
- Canonical SMILES
- COCC(C)NC(=O)CCc1nnc(o1)C2(CCC2)c3ccc(cc3)Cl
- Standard InChI
- InChI=1S/C19H24ClN3O3/c1-13(12-25-2)21-16(24)8-9-17-22-23-18(26-17)19(10-3-11-19)14-4-6-15(20)7-5-14/h4-7,13H,3,8-12H2,1-2H3,(H,21,24)
- Stored Murcko scaffold
- n1nc(oc1)C2(c3ccccc3)CCC2
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.
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 5
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 9
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 77.25 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 377.866 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.145
- 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 · 24799391