Molecule card · MolClass #48326
7977810
7977810: 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
- 7977810Mitochondrial Fusion · compound_name
- MolClass ID
- 48326
- InChIKey
- XUJOBJTYOMSLMR-UHFFFAOYSA-N
- Canonical SMILES
- Cc2cc(O)c3c(C)nn(c1ccccc1)c3(n2)
- Standard InChI
- InChI=1S/C14H13N3O/c1-9-8-12(18)13-10(2)16-17(14(13)15-9)11-6-4-3-5-7-11/h3-8H,1-2H3,(H,15,18)
- Stored Murcko scaffold
- n1cccc2cnn(-c3ccccc3)c12
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
- 3
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 1
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 50.94 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 239.273 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.085
- 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 · 7977810