Molecule card · MolClass #38958
14733352
14733352: 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
- 14733352Mitochondrial Fusion · compound_name
- MolClass ID
- 38958
- InChIKey
- HYWXJPIEFHSGNB-UHFFFAOYSA-N
- Canonical SMILES
- N#CCSc3c(c1ccccc1)c(NC(=O)C2CC2)c(C#N)s3
- Standard InChI
- InChI=1S/C17H13N3OS2/c18-8-9-22-17-14(11-4-2-1-3-5-11)15(13(10-19)23-17)20-16(21)12-6-7-12/h1-5,12H,6-7,9H2,(H,20,21)
- Stored Murcko scaffold
- s1cc(N[CH]C2CC2)c(c1)-c3ccccc3
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
- 6
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 130.22 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 339.437 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.045
- 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 · 14733352