Molecule card · MolClass #50955
17413586
17413586: 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
- 17413586Mitochondrial Fusion · compound_name
- MolClass ID
- 50955
- InChIKey
- UYQUBFQFKVIFFG-UHFFFAOYSA-N
- Canonical SMILES
- O=C3c1ccccc1C(=NN3(Cc2c(cccc2Cl)Cl))c4ccccc4
- Standard InChI
- InChI=1S/C21H14Cl2N2O/c22-18-11-6-12-19(23)17(18)13-25-21(26)16-10-5-4-9-15(16)20(24-25)14-7-2-1-3-8-14/h1-12H,13H2
- Stored Murcko scaffold
- N1=C(c2ccccc2)c3ccccc3[CH]N1Cc4ccccc4
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
- 3
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 3
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 32.67 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 381.255 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 6.678
- 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 · 17413586