Molecule card · MolClass #41711
24817183
24817183: 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
- 24817183Mitochondrial Fusion · compound_name
- MolClass ID
- 41711
- InChIKey
- FKSXTBKQELDEJS-UHFFFAOYSA-N
- Canonical SMILES
- Oc1ccc(cc1)C4C5=C(O)CCCC5(=Nc3ccc2ccccc2c34)
- Standard InChI
- InChI=1S/C23H19NO2/c25-16-11-8-15(9-12-16)21-22-17-5-2-1-4-14(17)10-13-19(22)24-18-6-3-7-20(26)23(18)21/h1-2,4-5,8-13,21,25-26H,3,6-7H2
- Stored Murcko scaffold
- N=1c2ccc3ccccc3c2C(c4ccccc4)C5=CCCCC15
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
- 3
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 1
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 52.82 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 341.403 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.054
- 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 · 24817183