Molecule card · MolClass #52527
843364
843364: 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
- 843364Mitochondrial Fusion · compound_name
- MolClass ID
- 52527
- InChIKey
- LHERJLPNWIFDNT-UHFFFAOYSA-N
- Canonical SMILES
- Cc1ccc(cc1)Cn4c(NC(=O)c2ccco2)nc3ccccc34
- Standard InChI
- InChI=1S/C20H17N3O2/c1-14-8-10-15(11-9-14)13-23-17-6-3-2-5-16(17)21-20(23)22-19(24)18-7-4-12-25-18/h2-12H,13H2,1H3,(H,21,22,24)
- Stored Murcko scaffold
- n1c2ccccc2n(c1N[CH]c3occc3)Cc4ccccc4
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
- 3
- 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
- 60.06 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 331.369 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.931
- 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 · 843364