Molecule card · MolClass #37092
24781601
24781601: 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
- 24781601Mitochondrial Fusion · compound_name
- MolClass ID
- 37092
- InChIKey
- BXZRGRLVENRJCI-XWFJYDPRSA-N
- Canonical SMILES
- CC(C)CSC3=NSC2=NC(=O)C(=Cc1ccccc1)C(=N)N23
- Standard InChI
- InChI=1S/C16H16N4OS2/c1-10(2)9-22-16-19-23-15-18-14(21)12(13(17)20(15)16)8-11-6-4-3-5-7-11/h3-8,10,17H,9H2,1-2H3/b12-8-,17-13?
- Stored Murcko scaffold
- N=1SC2=N[CH]C(=Cc3ccccc3)[CH]N2C1
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
- 5
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 119.48 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 344.457 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.641
- 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 · 24781601