Molecule card · MolClass #48514
24808055
24808055: 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
- 24808055Mitochondrial Fusion · compound_name
- MolClass ID
- 48514
- InChIKey
- SDQUNAFSIDLUPB-WUXMJOGZSA-N
- Canonical SMILES
- Cc1c(no[n+]1([O-]))C(=O)NN=Cc2ccncc2
- Standard InChI
- InChI=1S/C10H9N5O3/c1-7-9(14-18-15(7)17)10(16)13-12-6-8-2-4-11-5-3-8/h2-6H,1H3,(H,13,16)/b12-6+
- Stored Murcko scaffold
- n1ccc(C=NN[CH]c2no[nH+]c2)cc1
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
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 107.32 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 247.211 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 0.925
- 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 · 24808055