Molecule card · MolClass #44610
17407298
17407298: 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
- 17407298Mitochondrial Fusion · compound_name
- MolClass ID
- 44610
- InChIKey
- BXBDTLZWZZJTLK-UHFFFAOYSA-N
- Canonical SMILES
- COC(=O)c2c(CCl)noc2(C(=O)NCC1CCCO1)
- Standard InChI
- InChI=1S/C12H15ClN2O5/c1-18-12(17)9-8(5-13)15-20-10(9)11(16)14-6-7-3-2-4-19-7/h7H,2-6H2,1H3,(H,14,16)
- Stored Murcko scaffold
- n1oc(cc1)[CH]NCC2OCCC2
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
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 7
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 90.66 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 302.711 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 0.787
- 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 · 17407298