Molecule card · MolClass #39917
14731738
14731738: 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
- 14731738Mitochondrial Fusion · compound_name
- MolClass ID
- 39917
- InChIKey
- AXWGSPSCHVZWOO-UHFFFAOYSA-N
- Canonical SMILES
- Cc1nc(c2c(n1)N(C)C(=S)S2)N3CCN(C)CC3
- Standard InChI
- InChI=1S/C12H17N5S2/c1-8-13-10-9(19-12(18)16(10)3)11(14-8)17-6-4-15(2)5-7-17/h4-7H2,1-3H3
- Stored Murcko scaffold
- n1cnc(c2scnc12)N3CCNCC3
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.
- 7965433#41062
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
- 1
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 92.89 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 295.43 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.869
- 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 · 14731738