Molecule card · MolClass #47517
24790121
24790121: 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
- 24790121Mitochondrial Fusion · compound_name
- MolClass ID
- 47517
- InChIKey
- GFZMQNUBHCITLC-UHFFFAOYSA-N
- Canonical SMILES
- Cc2c(C)sc(NC(=O)C1CC(=CCC1(C(=O)O))Cl)c2(C#N)
- Standard InChI
- InChI=1S/C15H15ClN2O3S/c1-7-8(2)22-14(12(7)6-17)18-13(19)11-5-9(16)3-4-10(11)15(20)21/h3,10-11H,4-5H2,1-2H3,(H,18,19)(H,20,21)
- Stored Murcko scaffold
- s1cccc1N[CH]C2CC=CCC2
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
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 118.43 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 338.811 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 0.441
- 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 · 24790121