Molecule card · MolClass #46869
24831767
24831767: 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
- 24831767Mitochondrial Fusion · compound_name
- MolClass ID
- 46869
- InChIKey
- OKNXUHKNLBVFOF-UHFFFAOYSA-N
- Canonical SMILES
- Cc1ccc(cc1)C3(C)(NC(=O)N(CC(=O)Nc2cccnc2Cl)C3(=O))
- Standard InChI
- InChI=1S/C18H17ClN4O3/c1-11-5-7-12(8-6-11)18(2)16(25)23(17(26)22-18)10-14(24)21-13-4-3-9-20-15(13)19/h3-9H,10H2,1-2H3,(H,21,24)(H,22,26)
- Stored Murcko scaffold
- n1cccc(c1)N[CH]CN2[CH]NC([CH]2)c3ccccc3
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
- 7
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 5
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 91.4 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 372.806 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.976
- 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 · 24831767