Molecule card · MolClass #51480
14741388
14741388: 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
- 14741388Mitochondrial Fusion · compound_name
- MolClass ID
- 51480
- InChIKey
- ZWCBZUNOLAAIAS-UHFFFAOYSA-N
- Canonical SMILES
- CC(C)CCNc1nc(nc3c1c2CC(C)(C)OCc2s3)n4nc(C)cc4(C)
- Standard InChI
- InChI=1S/C21H29N5OS/c1-12(2)7-8-22-18-17-15-10-21(5,6)27-11-16(15)28-19(17)24-20(23-18)26-14(4)9-13(3)25-26/h9,12H,7-8,10-11H2,1-6H3,(H,22,23,24)
- Stored Murcko scaffold
- n1cc2c(nc1-n3nccc3)sc4c2CCOC4
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
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 5
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 93.1 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 399.555 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.318
- 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 · 14741388