Molecule card · MolClass #50029
22409535
22409535: 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
- 22409535Mitochondrial Fusion · compound_name
- MolClass ID
- 50029
- InChIKey
- BRDLQJYNKASWSW-UHFFFAOYSA-N
- Canonical SMILES
- COc1cc(C)c(cc1(OC))NC(Nc2ccc(c(c2)Cl)Cl)=S
- Standard InChI
- InChI=1S/C16H16Cl2N2O2S/c1-9-6-14(21-2)15(22-3)8-13(9)20-16(23)19-10-4-5-11(17)12(18)7-10/h4-8H,1-3H3,(H2,19,20,23)
- Stored Murcko scaffold
- c1ccc(cc1)N[CH]Nc2ccccc2
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.
View all molecules with this 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
- 6
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 74.61 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 371.283 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.289
- 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 · 22409535