Molecule card · MolClass #51379
14744964
14744964: 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
- 14744964Mitochondrial Fusion · compound_name
- MolClass ID
- 51379
- InChIKey
- TZQWNZXLDXSCDD-UHFFFAOYSA-N
- Canonical SMILES
- CC(C)CN(C(=O)C2=NN(C)C(=O)c1ccccc12)c4nc3ccccc3s4
- Standard InChI
- InChI=1S/C21H20N4O2S/c1-13(2)12-25(21-22-16-10-6-7-11-17(16)28-21)20(27)18-14-8-4-5-9-15(14)19(26)24(3)23-18/h4-11,13H,12H2,1-3H3
- Stored Murcko scaffold
- n1nc([CH][N]c2nc3ccccc3s2)c4ccccc4c1
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
- 6
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 5
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 94.11 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 392.476 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.884
- 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 · 14744964