Molecule card · MolClass #38088
3714181
3714181: 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
- 3714181Mitochondrial Fusion · compound_name
- MolClass ID
- 38088
- InChIKey
- ZYQDQCQYVMWGED-UHFFFAOYSA-N
- Canonical SMILES
- CCOC(=O)c4c(C)c3c(N=C1CCCC(O)=C1C3(c2cccs2))s4
- Standard InChI
- InChI=1S/C19H19NO3S2/c1-3-23-19(22)17-10(2)14-16(13-8-5-9-24-13)15-11(20-18(14)25-17)6-4-7-12(15)21/h5,8-9,16,21H,3-4,6-7H2,1-2H3
- Stored Murcko scaffold
- N=1c2sccc2C(c3sccc3)C4=CCCCC14
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
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 115.37 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 373.492 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.081
- 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 · 3714181