Molecule card · MolClass #37111
7975585
7975585: 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
- 7975585Mitochondrial Fusion · compound_name
- MolClass ID
- 37111
- InChIKey
- HDJWKLBSKCRFGX-UHFFFAOYSA-N
- Canonical SMILES
- Cc1ccc(C)n1N2C(C)=Nc3c(C2(=O))c(cs3)c4cccs4
- Standard InChI
- InChI=1S/C17H15N3OS2/c1-10-6-7-11(2)19(10)20-12(3)18-16-15(17(20)21)13(9-23-16)14-5-4-8-22-14/h4-9H,1-3H3
- Stored Murcko scaffold
- N1=CN([CH]c2c1scc2-c3sccc3)n4cccc4
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
- 3
- 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
- 94.08 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 341.453 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.227
- 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 · 7975585