Molecule card · MolClass #49748
24783710
24783710: 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
- 24783710Mitochondrial Fusion · compound_name
- MolClass ID
- 49748
- InChIKey
- XZNLCSHBZVMZOG-CMDGGOBGSA-N
- Canonical SMILES
- Cc2nc(N)nc(N)c2(C=CC(C)(C)c1ccc(cc1)Cl)
- Standard InChI
- InChI=1S/C16H19ClN4/c1-10-13(14(18)21-15(19)20-10)8-9-16(2,3)11-4-6-12(17)7-5-11/h4-9H,1-3H3,(H4,18,19,20,21)/b9-8+
- Stored Murcko scaffold
- n1cncc(c1)C=CCc2ccccc2
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
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 3
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 77.82 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 302.802 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.613
- 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 · 24783710