Molecule card · MolClass #17473
1931308
1931308: molecular structure, identifiers, source datasets and 0 saved model results in MolClass.
2 source records · 0 model builds with saved results
Explore classification modelsStructure and identifiers
- Imported compound names
- 14725220Mitochondrial Fusion · compound_name
- MolClass ID
- 17473
- InChIKey
- OQKVAAZGDGXGGQ-UHFFFAOYSA-N
- Canonical SMILES
- CCCC(=O)C1=C(CC(C)(C)C(C(=O)OC)C1(=O))Nc3cccc2ccccc23
- Standard InChI
- InChI=1S/C24H27NO4/c1-5-9-19(26)20-18(14-24(2,3)21(22(20)27)23(28)29-4)25-17-13-8-11-15-10-6-7-12-16(15)17/h6-8,10-13,21,25H,5,9,14H2,1-4H3
- Stored Murcko scaffold
- c1ccc2c(c1)cccc2NC3=C[CH]CCC3
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
- 72.47 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 393.476 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.708
- 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.
Auto-fluorescence Prediction
Dataset #13 · 1931308
Mitochondrial Fusion
Dataset #19 · 14725220