Molecule card · MolClass #44139
24819729
24819729: 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
- 24819729Mitochondrial Fusion · compound_name
- MolClass ID
- 44139
- InChIKey
- QXTNZQXHZDHIJW-RMKNXTFCSA-N
- Canonical SMILES
- Cc2nc3nc(nn3(c(O)c2(CC=Cc1ccccc1)))SC
- Standard InChI
- InChI=1S/C16H16N4OS/c1-11-13(10-6-9-12-7-4-3-5-8-12)14(21)20-15(17-11)18-16(19-20)22-2/h3-9,21H,10H2,1-2H3/b9-6+
- Stored Murcko scaffold
- n1cnn2cc(cnc12)CC=Cc3ccccc3
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
- 4
- 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
- 88.61 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 312.391 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.164
- 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 · 24819729