Molecule card · MolClass #46415
24785971
24785971: 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
- 24785971Mitochondrial Fusion · compound_name
- MolClass ID
- 46415
- InChIKey
- FVRULHPHNJMRAQ-UHFFFAOYSA-N
- Canonical SMILES
- Cc2nc1ccccc1n2C(=O)N(C)C
- Standard InChI
- InChI=1S/C11H13N3O/c1-8-12-9-6-4-5-7-10(9)14(8)11(15)13(2)3/h4-7H,1-3H3
- Stored Murcko scaffold
- [N]1C=Nc2ccccc12
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.
- 17804-35-2#4254
- 24831756#32574
- 14740791#43873
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
- 2
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 38.13 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 203.241 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 0.706
- 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 · 24785971