Molecule card · MolClass #48468
24810757
24810757: 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
- 24810757Mitochondrial Fusion · compound_name
- MolClass ID
- 48468
- InChIKey
- NWLRDHYFCLXEMH-UHFFFAOYSA-N
- Canonical SMILES
- COC(=O)C3=CN(NC(=O)Cc1c(F)cccc1Cl)C(=O)c2ccccc23
- Standard InChI
- InChI=1S/C19H14ClFN2O4/c1-27-19(26)14-10-23(18(25)12-6-3-2-5-11(12)14)22-17(24)9-13-15(20)7-4-8-16(13)21/h2-8,10H,9H2,1H3,(H,22,24)
- Stored Murcko scaffold
- c1ccc(cc1)C[CH]NN2C=Cc3ccccc3[CH]2
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
- 6
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 6
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 75.71 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 388.778 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.922
- 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 · 24810757