Molecule card · MolClass #46687
24832886
24832886: 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
- 24832886Mitochondrial Fusion · compound_name
- MolClass ID
- 46687
- InChIKey
- OCVMRYOFJJAWKV-BQYQJAHWSA-N
- Canonical SMILES
- CCCN1C(N)=C(C(=O)NC1(=O))N(CCOC)C(=O)C=Cc2cccc(c2)Cl
- Standard InChI
- InChI=1S/C19H23ClN4O4/c1-3-9-24-17(21)16(18(26)22-19(24)27)23(10-11-28-2)15(25)8-7-13-5-4-6-14(20)12-13/h4-8,12H,3,9-11,21H2,1-2H3,(H,22,26,27)/b8-7+
- Stored Murcko scaffold
- [N]1[CH]N[CH]C([N][CH]C=Cc2ccccc2)=C1
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
- 8
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 9
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 104.97 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 406.864 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.865
- 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 · 24832886