Molecule card · MolClass #43051
24787886
24787886: 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
- 24787886Mitochondrial Fusion · compound_name
- MolClass ID
- 43051
- InChIKey
- WCGRVNLSRBIWOI-UHFFFAOYSA-N
- Canonical SMILES
- O=C(COc1ccc(c(c1)Cl)Cl)NN2C(=O)C3C5C=CC(C3(C2(=O)))C45(CC4)
- Standard InChI
- InChI=1S/C19H16Cl2N2O4/c20-12-4-1-9(7-13(12)21)27-8-14(24)22-23-17(25)15-10-2-3-11(16(15)18(23)26)19(10)5-6-19/h1-4,7,10-11,15-16H,5-6,8H2,(H,22,24)
- Stored Murcko scaffold
- O(c1ccccc1)C[CH]NN2[CH]C3C([CH]2)C4C=CC3C54CC5
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
- 5
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 5
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 75.71 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 407.248 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.044
- 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 · 24787886