Molecule card · MolClass #48971
24831078
24831078: 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
- 24831078Mitochondrial Fusion · compound_name
- MolClass ID
- 48971
- InChIKey
- RXEPKZVBVJTWEZ-UHFFFAOYSA-N
- Canonical SMILES
- Cc1ccc(cc1)Cc2cnc(S)s2
- Standard InChI
- InChI=1S/C11H11NS2/c1-8-2-4-9(5-3-8)6-10-7-12-11(13)14-10/h2-5,7H,6H2,1H3,(H,12,13)
- Stored Murcko scaffold
- n1csc(c1)Cc2ccccc2
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.
- 2067785#15969
- 1298659#18183
- 24805849#49427
- Nc1sc(Cc2cccc(Cl)c2Cl)cn1#153364
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 1
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 2
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 79.93 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 221.344 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.422
- 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 · 24831078