Molecule card · MolClass #40627
24815765
24815765: 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
- 24815765Mitochondrial Fusion · compound_name
- MolClass ID
- 40627
- InChIKey
- DRKFQECFSGWQNN-GQCTYLIASA-N
- Canonical SMILES
- CC3=NN=C(N(COC(=O)C=Cc1ccc2OCOc2(c1))C3(=O))SC
- Standard InChI
- InChI=1S/C16H15N3O5S/c1-10-15(21)19(16(25-2)18-17-10)8-22-14(20)6-4-11-3-5-12-13(7-11)24-9-23-12/h3-7H,8-9H2,1-2H3/b6-4+
- Stored Murcko scaffold
- N=1N=CN([CH]C1)CO[CH]C=Cc2ccc3OCOc3c2
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
- 6
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 6
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 115.09 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 361.374 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.838
- 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 · 24815765