Molecule card · MolClass #50811
17431935
17431935: 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
- 17431935Mitochondrial Fusion · compound_name
- MolClass ID
- 50811
- InChIKey
- RKSHHRQYBVRBSC-UHFFFAOYSA-N
- Canonical SMILES
- CC(C)(C)C(=O)NC(NNC(=O)c2c(c1ccccc1s2)Cl)=S
- Standard InChI
- InChI=1S/C15H16ClN3O2S2/c1-15(2,3)13(21)17-14(22)19-18-12(20)11-10(16)8-6-4-5-7-9(8)23-11/h4-7H,1-3H3,(H,18,20)(H2,17,19,21,22)
- Stored Murcko scaffold
- s1ccc2ccccc12
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.
View all molecules with this scaffold →Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 5
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 3
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 7
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 130.56 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 369.892 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.158
- 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 · 17431935