Molecule card · MolClass #45916
22410243
22410243: 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
- 22410243Mitochondrial Fusion · compound_name
- MolClass ID
- 45916
- InChIKey
- MPZYNBCSDBBVJR-UHFFFAOYSA-N
- Canonical SMILES
- Cc2c(cnc(NC(=O)CSc1nncs1)c2Cl)Cl
- Standard InChI
- InChI=1S/C10H8Cl2N4OS2/c1-5-6(11)2-13-9(8(5)12)15-7(17)3-18-10-16-14-4-19-10/h2,4H,3H2,1H3,(H,13,15,17)
- Stored Murcko scaffold
- n1nc(sc1)SC[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
- 5
- 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
- 121.31 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 335.235 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.475
- 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 · 22410243