Molecule card · MolClass #47215
24782201
24782201: 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
- 24782201Mitochondrial Fusion · compound_name
- MolClass ID
- 47215
- InChIKey
- BTPNFMRTBIAKJN-ZDUSSCGKSA-N
- Canonical SMILES
- COC(=O)C3CCCN3(C(=O)CCc1nnc(o1)C2CCCCC2)
- Standard InChI
- InChI=1S/C17H25N3O4/c1-23-17(22)13-8-5-11-20(13)15(21)10-9-14-18-19-16(24-14)12-6-3-2-4-7-12/h12-13H,2-11H2,1H3/t13-/m0/s1
- Stored Murcko scaffold
- n1nc(oc1CC[CH]N2CCCC2)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
- 6
- 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
- 85.53 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 335.399 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.938
- 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 · 24782201