Molecule card · MolClass #46815
14729377
14729377: 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
- 14729377Mitochondrial Fusion · compound_name
- MolClass ID
- 46815
- InChIKey
- KACMXSAOBZQIQW-UHFFFAOYSA-N
- Canonical SMILES
- CC(=O)c1cnc2ncnn2(c1(C))
- Standard InChI
- InChI=1S/C8H8N4O/c1-5-7(6(2)13)3-9-8-10-4-11-12(5)8/h3-4H,1-2H3
- Stored Murcko scaffold
- n1cnn2cccnc12
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
- 4
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 1
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 60.15 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 176.176 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- -0.126
- 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 · 14729377