Molecule card · MolClass #51074
17409481
17409481: 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
- 17409481Mitochondrial Fusion · compound_name
- MolClass ID
- 51074
- InChIKey
- FXJMTWDBKRIUPT-KTNWWYKBSA-N
- Canonical SMILES
- CN(C)C=C(C=NOCc1ccc(cc1Cl)Cl)C(=O)Nc2ccc(c(c2)Cl)Cl
- Standard InChI
- InChI=1S/C19H17Cl4N3O2/c1-26(2)10-13(19(27)25-15-5-6-16(21)18(23)8-15)9-24-28-11-12-3-4-14(20)7-17(12)22/h3-10H,11H2,1-2H3,(H,25,27)/b13-10+,24-9+
- Stored Murcko scaffold
- N(OCc1ccccc1)=C[CH][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.
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
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 8
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 53.93 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 461.17 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 6.496
- 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 · 17409481