Molecule card · MolClass #36845
24795864
24795864: 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
- 24795864Mitochondrial Fusion · compound_name
- MolClass ID
- 36845
- InChIKey
- ZODULXSYDSJPPU-UHFFFAOYSA-N
- Canonical SMILES
- CCOC(=O)CNc2nc1ccccc1n3c(C)nnc23
- Standard InChI
- InChI=1S/C14H15N5O2/c1-3-21-12(20)8-15-13-14-18-17-9(2)19(14)11-7-5-4-6-10(11)16-13/h4-7H,3,8H2,1-2H3,(H,15,16)
- Stored Murcko scaffold
- n1nc2cnc3ccccc3n2c1
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
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 5
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 81.41 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 285.302 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.703
- 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 · 24795864