Molecule card · MolClass #40312
22402552
22402552: 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
- 22402552Mitochondrial Fusion · compound_name
- MolClass ID
- 40312
- InChIKey
- CFHIXJGXYPIYRW-UHFFFAOYSA-N
- Canonical SMILES
- CCc1ccc(cc1)NC(=O)C3CC(=O)Nc2ncnn23
- Standard InChI
- InChI=1S/C14H15N5O2/c1-2-9-3-5-10(6-4-9)17-13(21)11-7-12(20)18-14-15-8-16-19(11)14/h3-6,8,11H,2,7H2,1H3,(H,17,21)(H,15,16,18,20)
- Stored Murcko scaffold
- n1cnn2c1N[CH]CC2[CH]Nc3ccccc3
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.
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 6
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 88.91 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 285.302 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 0.912
- 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 · 22402552