Molecule card · MolClass #40757
24819445
24819445: 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
- 24819445Mitochondrial Fusion · compound_name
- MolClass ID
- 40757
- InChIKey
- FLTKCPOMOPHZBJ-UHFFFAOYSA-N
- Canonical SMILES
- CC2(C)(CC(=O)c3cnc1nc(nn1c3(C2))SC)
- Standard InChI
- InChI=1S/C12H14N4OS/c1-12(2)4-8-7(9(17)5-12)6-13-10-14-11(18-3)15-16(8)10/h6H,4-5H2,1-3H3
- Stored Murcko scaffold
- n1cnn2c1ncc3[CH]CCCc32
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
- 85.45 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 262.332 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.862
- 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 · 24819445