Molecule card · MolClass #36105
3715374
3715374: 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
- 3715374Mitochondrial Fusion · compound_name
- MolClass ID
- 36105
- InChIKey
- RCNKGMDBJGCTNU-UHFFFAOYSA-N
- Canonical SMILES
- Cc2cc1nnc(n1c3ccccc23)SC4CCOC4(=O)
- Standard InChI
- InChI=1S/C15H13N3O2S/c1-9-8-13-16-17-15(21-12-6-7-20-14(12)19)18(13)11-5-3-2-4-10(9)11/h2-5,8,12H,6-7H2,1H3
- Stored Murcko scaffold
- n1nc2ccc3ccccc3n2c1SC4[CH]OCC4
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
- 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
- 81.79 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 299.349 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.775
- 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 · 3715374