Molecule card · MolClass #40526
24782693
24782693: 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
- 24782693Mitochondrial Fusion · compound_name
- MolClass ID
- 40526
- InChIKey
- YXJIJCVMXKNMNV-ACCUITESSA-N
- Canonical SMILES
- CCC(=O)NN=C2N(C)c1ccccc1S2
- Standard InChI
- InChI=1S/C11H13N3OS/c1-3-10(15)12-13-11-14(2)8-6-4-5-7-9(8)16-11/h4-7H,3H2,1-2H3,(H,12,15)/b13-11+
- Stored Murcko scaffold
- S1[CH]Nc2ccccc12
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.
View all molecules with this scaffold →Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 4
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 3
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 70 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 235.307 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.98
- 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 · 24782693