Molecule card · MolClass #42906
14736143
14736143: 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
- 14736143Mitochondrial Fusion · compound_name
- MolClass ID
- 42906
- InChIKey
- FSVYVDGKEZJLBL-UHFFFAOYSA-N
- Canonical SMILES
- CC(C)(C)NC(=O)C24(CCC(C)(c1nc3ccccc3(nc12))C4(C)(C))
- Standard InChI
- InChI=1S/C21H27N3O/c1-18(2,3)24-17(25)21-12-11-20(6,19(21,4)5)15-16(21)23-14-10-8-7-9-13(14)22-15/h7-10H,11-12H2,1-6H3,(H,24,25)
- Stored Murcko scaffold
- n1c2ccccc2nc3c1C4CCC3C4
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
- 3
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 54.88 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 337.459 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.63
- 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 · 14736143