Molecule card · MolClass #41193
17409675
17409675: 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
- 17409675Mitochondrial Fusion · compound_name
- MolClass ID
- 41193
- InChIKey
- DTVNXRSWDRAMAO-UHFFFAOYSA-N
- Canonical SMILES
- Cc1nc(nc2CCCc12)S(=O)(=O)c3ccc(cc3)Cl
- Standard InChI
- InChI=1S/C14H13ClN2O2S/c1-9-12-3-2-4-13(12)17-14(16-9)20(18,19)11-7-5-10(15)6-8-11/h5-8H,2-4H2,1H3
- Stored Murcko scaffold
- n1cc2c(nc1Sc3ccccc3)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.
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 4
- 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
- 68.3 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 308.785 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.078
- 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 · 17409675