Molecule card · MolClass #38477
862643
862643: 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
- 862643Mitochondrial Fusion · compound_name
- MolClass ID
- 38477
- InChIKey
- FEPPLTRUNJLYAE-UHFFFAOYSA-N
- Canonical SMILES
- Cc1cccc(c1)c2c3C(=O)N(C)C(=O)N(C)c3(cn2C(C)(C)C)
- Standard InChI
- InChI=1S/C19H23N3O2/c1-12-8-7-9-13(10-12)16-15-14(11-22(16)19(2,3)4)20(5)18(24)21(6)17(15)23/h7-11H,1-6H3
- Stored Murcko scaffold
- n1cnc2c[nH]c(-c3ccccc3)c2c1
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
- 2
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 45.55 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 325.406 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.958
- 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 · 862643