Molecule card · MolClass #38549
24793781
24793781: 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
- 24793781Mitochondrial Fusion · compound_name
- MolClass ID
- 38549
- InChIKey
- CSWILLDPSWTCBK-UHFFFAOYSA-N
- Canonical SMILES
- CC(=O)NCc2nnc3c1ccccc1c(nn23)c4ccccc4
- Standard InChI
- InChI=1S/C18H15N5O/c1-12(24)19-11-16-20-21-18-15-10-6-5-9-14(15)17(22-23(16)18)13-7-3-2-4-8-13/h2-10H,11H2,1H3,(H,19,24)
- Stored Murcko scaffold
- n1nc2c3ccccc3c(nn2c1)-c4ccccc4
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.
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
- 72.18 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 317.345 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.648
- 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 · 24793781