Molecule card · MolClass #43620
14726370
14726370: 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
- 14726370Mitochondrial Fusion · compound_name
- MolClass ID
- 43620
- InChIKey
- JRBRCCYOJOUEBP-UHFFFAOYSA-N
- Canonical SMILES
- CCc1nc(no1)c2ccc(C)nc2(OC)
- Standard InChI
- InChI=1S/C11H13N3O2/c1-4-9-13-10(14-16-9)8-6-5-7(2)12-11(8)15-3/h5-6H,4H2,1-3H3
- Stored Murcko scaffold
- n1cccc(c1)-c2nocn2
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.
- 862196#40551
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 2
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 3
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 61.04 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 219.24 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.346
- 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 · 14726370