Molecule card · MolClass #39677
14721632
14721632: 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
- 14721632Mitochondrial Fusion · compound_name
- MolClass ID
- 39677
- InChIKey
- VASZAWIEAHCIHF-UHFFFAOYSA-N
- Canonical SMILES
- CC15(C=CC4(O1)(C(C(=O)N(c2ccccc2)C4(C(=O)NC3CCCC3))C5(C(N)=O)))
- Standard InChI
- InChI=1S/C22H25N3O4/c1-21-11-12-22(29-21)16(15(21)18(23)26)20(28)25(14-9-3-2-4-10-14)17(22)19(27)24-13-7-5-6-8-13/h2-4,9-13,15-17H,5-8H2,1H3,(H2,23,26)(H,24,27)
- Stored Murcko scaffold
- O1C2C=CC13C([CH]NC4CCCC4)N([CH]C3C2)c5ccccc5
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
- 7
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 5
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 101.73 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 395.452 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 0.117
- 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 · 14721632