Molecule card · MolClass #49741
24785506
24785506: 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
- 24785506Mitochondrial Fusion · compound_name
- MolClass ID
- 49741
- InChIKey
- FDESLNIKQJPPOE-JJFYIABZSA-N
- Canonical SMILES
- NC(NN=Cc2c(ccc1ccccc12)OCc3ccccc3Cl)=S
- Standard InChI
- InChI=1S/C19H16ClN3OS/c20-17-8-4-2-6-14(17)12-24-18-10-9-13-5-1-3-7-15(13)16(18)11-22-23-19(21)25/h1-11H,12H2,(H3,21,23,25)/b22-11-
- Stored Murcko scaffold
- O(c1ccc2ccccc2c1)Cc3ccccc3
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
- 3
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 6
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 91.73 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 369.87 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 5.848
- 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 · 24785506