Molecule card · MolClass #46380
24780360
24780360: 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
- 24780360Mitochondrial Fusion · compound_name
- MolClass ID
- 46380
- InChIKey
- OHURUUSZJHIVTO-UHFFFAOYSA-N
- Canonical SMILES
- NC(=O)c1nnn(c1(N))c2ccccc2
- Standard InChI
- InChI=1S/C9H9N5O/c10-8-7(9(11)15)12-13-14(8)6-4-2-1-3-5-6/h1-5H,10H2,(H2,11,15)
- Stored Murcko scaffold
- n1nn(cc1)-c2ccccc2
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.
View all molecules with this scaffold →Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 5
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 2
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 99.82 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 203.201 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 0.53
- 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 · 24780360