Molecule card · MolClass #41579
24819347
24819347: 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
- 24819347Mitochondrial Fusion · compound_name
- MolClass ID
- 41579
- InChIKey
- SBICTSLDTMUAGR-KXBFYZLASA-N
- Canonical SMILES
- CC(=O)OCC3COc2ccc1ccccc1c2C3N(C)C(C)=O
- Standard InChI
- InChI=1S/C19H21NO4/c1-12(21)20(3)19-15(10-23-13(2)22)11-24-17-9-8-14-6-4-5-7-16(14)18(17)19/h4-9,15,19H,10-11H2,1-3H3/t15-,19-/m0/s1
- Stored Murcko scaffold
- O1c2ccc3ccccc3c2CCC1
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.
- 24819345#39527
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 4
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 5
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 55.84 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 327.375 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.899
- 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 · 24819347