Molecule card · MolClass #36330
24805924
24805924: 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
- 24805924Mitochondrial Fusion · compound_name
- MolClass ID
- 36330
- InChIKey
- KKLBOCLKUIMOKW-ZHZULCJRSA-N
- Canonical SMILES
- Cc1ccc(cc1)NN=C(C)C3(C)(N(O)C(C)(C)C(c2ccco2)=[N+]3([O-]))
- Standard InChI
- InChI=1S/C19H24N4O3/c1-13-8-10-15(11-9-13)21-20-14(2)19(5)22(24)17(16-7-6-12-26-16)18(3,4)23(19)25/h6-12,21,25H,1-5H3/b20-14-
- Stored Murcko scaffold
- N(=CC1NCC(=[NH+]1)c2occc2)Nc3ccccc3
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
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 87.07 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 356.42 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.325
- 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 · 24805924