Molecule card · MolClass #49573
24794397
24794397: 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
- 24794397Mitochondrial Fusion · compound_name
- MolClass ID
- 49573
- InChIKey
- FICOJZFXPZKVKH-UHFFFAOYSA-N
- Canonical SMILES
- CC(C)Oc3ccc(Cc2nnc(n2(Cc1ccccc1))S)cc3Cl
- Standard InChI
- InChI=1S/C19H20ClN3OS/c1-13(2)24-17-9-8-15(10-16(17)20)11-18-21-22-19(25)23(18)12-14-6-4-3-5-7-14/h3-10,13H,11-12H2,1-2H3,(H,22,25)
- Stored Murcko scaffold
- n1nc(n(c1)Cc2ccccc2)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.
No other molecules currently have this stored scaffold.
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 2
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 6
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 78.74 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 373.901 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 6.636
- 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 · 24794397