Molecule card · MolClass #36107
3714708
3714708: 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
- 3714708Mitochondrial Fusion · compound_name
- MolClass ID
- 36107
- InChIKey
- XTXZBBGTJRYMQC-UHFFFAOYSA-N
- Canonical SMILES
- O=S1(=O)(CCN2C(=CSC2(=N1))c3ccc4CCCCc4(c3))
- Standard InChI
- InChI=1S/C15H16N2O2S2/c18-21(19)8-7-17-14(10-20-15(17)16-21)13-6-5-11-3-1-2-4-12(11)9-13/h5-6,9-10H,1-4,7-8H2
- Stored Murcko scaffold
- N=1SCCN2C1SC=C2c3ccc4c(c3)CCCC4
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
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 1
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 83.42 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 320.432 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.25
- 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 · 3714708