Molecule card · MolClass #35612
24786603
24786603: 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
- 24786603Mitochondrial Fusion · compound_name
- MolClass ID
- 35612
- InChIKey
- MHCWLERQNFATHZ-UHFFFAOYSA-N
- Canonical SMILES
- Cn1cc2ccc(N)cc2(n1)
- Standard InChI
- InChI=1S/C8H9N3/c1-11-5-6-2-3-7(9)4-8(6)10-11/h2-5H,9H2,1H3
- Stored Murcko scaffold
- n1[nH]cc2ccccc12
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
- 2
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 0
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 43.84 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 147.177 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.448
- 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 · 24786603