Molecule card · MolClass #39919
17386773
17386773: 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
- 17386773Mitochondrial Fusion · compound_name
- MolClass ID
- 39919
- InChIKey
- GUAVILGYBYOGLT-UHFFFAOYSA-N
- Canonical SMILES
- CC1CN(CC(C)O1)C(=O)c2c(cnn2(C))[N+](=O)[O-]
- Standard InChI
- InChI=1S/C11H16N4O4/c1-7-5-14(6-8(2)19-7)11(16)10-9(15(17)18)4-12-13(10)3/h4,7-8H,5-6H2,1-3H3
- Stored Murcko scaffold
- n1ccc([CH]N2CCOCC2)[nH]1
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
- 4
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 3
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 90.5 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 268.27 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 0.894
- 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 · 17386773