Molecule card · MolClass #36042
865336
865336: 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
- 865336Mitochondrial Fusion · compound_name
- MolClass ID
- 36042
- InChIKey
- DWBNUXWXZBSVMY-UHFFFAOYSA-N
- Canonical SMILES
- Cc1nc2nc3CC(C)(C)CC(=O)c3(cn2(n1))
- Standard InChI
- InChI=1S/C12H14N4O/c1-7-13-11-14-9-4-12(2,3)5-10(17)8(9)6-16(11)15-7/h6H,4-5H2,1-3H3
- Stored Murcko scaffold
- n1cnn2cc3[CH]CCCc3nc12
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
- 4
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 0
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 60.15 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 230.266 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.346
- 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 · 865336