Molecule card · MolClass #48363
3715845
3715845: 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
- 3715845Mitochondrial Fusion · compound_name
- MolClass ID
- 48363
- InChIKey
- HMXWEKRGUTUENY-UHFFFAOYSA-N
- Canonical SMILES
- Cc2cc1ccccn1c2C(=O)c3ccncc3
- Standard InChI
- InChI=1S/C15H12N2O/c1-11-10-13-4-2-3-9-17(13)14(11)15(18)12-5-7-16-8-6-12/h2-10H,1H3
- Stored Murcko scaffold
- n1ccc(cc1)[CH]c2ccc3ccccn32
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.
No other molecules currently have this stored scaffold.
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
- 2
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 34.37 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 236.269 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.038
- 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 · 3715845