Molecule card · MolClass #40920
14743443
14743443: 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
- 14743443Mitochondrial Fusion · compound_name
- MolClass ID
- 40920
- InChIKey
- FEKCWSNTKCCSSM-UHFFFAOYSA-N
- Canonical SMILES
- Cc1ccc(cc1)c3c4C(=O)N(C)C(=O)N(C)c4(cn3(Cc2ccccc2))
- Standard InChI
- InChI=1S/C22H21N3O2/c1-15-9-11-17(12-10-15)20-19-18(23(2)22(27)24(3)21(19)26)14-25(20)13-16-7-5-4-6-8-16/h4-12,14H,13H2,1-3H3
- Stored Murcko scaffold
- n1cnc2cn(c(-c3ccccc3)c2c1)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
- 4
- 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
- 45.55 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 359.422 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.368
- 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 · 14743443