Molecule card · MolClass #42281
14744912
14744912: 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
- 14744912Mitochondrial Fusion · compound_name
- MolClass ID
- 42281
- InChIKey
- CMYCOXLVJXTDHG-UHFFFAOYSA-N
- Canonical SMILES
- Cc1csc(n1)SCC(=O)Nc2ncc(c(C)c2Cl)Cl
- Standard InChI
- InChI=1S/C12H11Cl2N3OS2/c1-6-4-19-12(16-6)20-5-9(18)17-11-10(14)7(2)8(13)3-15-11/h3-4H,5H2,1-2H3,(H,15,17,18)
- Stored Murcko scaffold
- n1ccsc1SC[CH]Nc2ncccc2
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
- 4
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 5
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 108.42 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 348.274 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.938
- 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 · 14744912