Molecule card · MolClass #51635
14734057
14734057: 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
- 14734057Mitochondrial Fusion · compound_name
- MolClass ID
- 51635
- InChIKey
- CGPWPWUTUZQROJ-UHFFFAOYSA-N
- Canonical SMILES
- CCc1c(C)nc(c(C#N)c1(C))SCC(=O)c2cccs2
- Standard InChI
- InChI=1S/C16H16N2OS2/c1-4-12-10(2)13(8-17)16(18-11(12)3)21-9-14(19)15-6-5-7-20-15/h5-7H,4,9H2,1-3H3
- Stored Murcko scaffold
- n1ccccc1SC[CH]c2sccc2
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
- 3
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 5
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 107.29 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 316.444 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.924
- 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 · 14734057