Molecule card · MolClass #39158
4256888
4256888: 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
- 4256888Mitochondrial Fusion · compound_name
- MolClass ID
- 39158
- InChIKey
- NPVIPADPDCXCJF-UHFFFAOYSA-N
- Canonical SMILES
- CCSc1cc(c(C)o1)C3C(=C(C)N=C2CCCC(O)=C23)C(=O)OC
- Standard InChI
- InChI=1S/C19H23NO4S/c1-5-25-15-9-12(11(3)24-15)17-16(19(22)23-4)10(2)20-13-7-6-8-14(21)18(13)17/h9,17,21H,5-8H2,1-4H3
- Stored Murcko scaffold
- N=1C=CC(c2cocc2)C3=CCCCC13
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
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 5
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 97.33 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 361.457 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.956
- 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 · 4256888