Molecule card · MolClass #40156
24798935
24798935: 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
- 24798935Mitochondrial Fusion · compound_name
- MolClass ID
- 40156
- InChIKey
- WHLVLPASFFNAHS-UHFFFAOYSA-N
- Canonical SMILES
- CC(c1nccs1)N(C)c2nc3nonc3(nc2N(C)C)
- Standard InChI
- InChI=1S/C12H15N7OS/c1-7(12-13-5-6-21-12)19(4)11-10(18(2)3)14-8-9(15-11)17-20-16-8/h5-7H,1-4H3
- Stored Murcko scaffold
- n1onc2nc(cnc12)NCc3nccs3
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
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 112.31 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 305.36 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.661
- 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 · 24798935