Molecule card · MolClass #35550
24785537
24785537: 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
- 24785537Mitochondrial Fusion · compound_name
- MolClass ID
- 35550
- InChIKey
- VDYGGDHKIJVMEW-UHFFFAOYSA-N
- Canonical SMILES
- Cc3c[n+](C)ccc3(CC1C(=C[N-]c2ncnn12)[N+](=O)[O-])
- Standard InChI
- InChI=1S/C13H14N6O2/c1-9-7-17(2)4-3-10(9)5-11-12(19(20)21)6-14-13-15-8-16-18(11)13/h3-4,6-8,11H,5H2,1-2H3
- Stored Murcko scaffold
- n1cnn2c1[N-]C=CC2Cc3cc[nH+]cc3
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
- 3
- 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
- 77.73 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 286.29 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.477
- 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 · 24785537