Molecule card · MolClass #38546
14721058
14721058: 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
- 14721058Mitochondrial Fusion · compound_name
- MolClass ID
- 38546
- InChIKey
- BCGXCSKERKGFBP-UHFFFAOYSA-N
- Canonical SMILES
- C1C2CC4CC1CC(C2)C34(NNC(NN3)=S)
- Standard InChI
- InChI=1S/C11H18N4S/c16-10-12-14-11(15-13-10)8-2-6-1-7(4-8)5-9(11)3-6/h6-9,14-15H,1-5H2,(H2,12,13,16)
- Stored Murcko scaffold
- [CH]1NNC2(NN1)C3CC4CC(C3)CC2C4
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
- 4
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 0
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 80.21 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 238.354 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.084
- 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 · 14721058