Molecule card · MolClass #40423
865355
865355: 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
- 865355Mitochondrial Fusion · compound_name
- MolClass ID
- 40423
- InChIKey
- CMBDGYNIZMELAK-NXVVXOECSA-N
- Canonical SMILES
- CCC(=O)N=C3N(c1cccc(c1)OC)C2CS(=O)(=O)CC2S3
- Standard InChI
- InChI=1S/C15H18N2O4S2/c1-3-14(18)16-15-17(10-5-4-6-11(7-10)21-2)12-8-23(19,20)9-13(12)22-15/h4-7,12-13H,3,8-9H2,1-2H3/b16-15-
- Stored Murcko scaffold
- S1[CH]N(c2ccccc2)C3CSCC13
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
- 5
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 109.72 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 354.447 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.399
- 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 · 865355