Molecule card · MolClass #48924
24835760
24835760: 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
- 24835760Mitochondrial Fusion · compound_name
- MolClass ID
- 48924
- InChIKey
- CXPJMSNEIJNISY-UHFFFAOYSA-N
- Canonical SMILES
- COCCN2C(=O)NC(=O)c1cc(cnc12)C(=O)c3cc(ccc3(O))Cl
- Standard InChI
- InChI=1S/C17H14ClN3O5/c1-26-5-4-21-15-12(16(24)20-17(21)25)6-9(8-19-15)14(23)11-7-10(18)2-3-13(11)22/h2-3,6-8,22H,4-5H2,1H3,(H,20,24,25)
- Stored Murcko scaffold
- [N]1[CH]N[CH]c2cc(cnc12)[CH]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
- 8
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 5
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 108.83 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 375.764 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.108
- 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 · 24835760