Molecule card · MolClass #48840
24815406
24815406: 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
- 24815406Mitochondrial Fusion · compound_name
- MolClass ID
- 48840
- InChIKey
- ASNTZFZKDCGZEB-UHFFFAOYSA-N
- Canonical SMILES
- CCOC(=O)C1CCCN(C1)C2=CC(=O)N(C(=O)N2)C3CCCCC3
- Standard InChI
- InChI=1S/C18H27N3O4/c1-2-25-17(23)13-7-6-10-20(12-13)15-11-16(22)21(18(24)19-15)14-8-4-3-5-9-14/h11,13-14H,2-10,12H2,1H3,(H,19,24)
- Stored Murcko scaffold
- C=1[CH]N([CH]NC1N2CCCCC2)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.
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 7
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 5
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 78.95 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 349.425 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.576
- 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 · 24815406