Molecule card · MolClass #51294
17386325
17386325: 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
- 17386325Mitochondrial Fusion · compound_name
- MolClass ID
- 51294
- InChIKey
- ZUQILQMRAXSFAW-OUKQBFOZSA-N
- Canonical SMILES
- Cc1ccc(cc1)C(=O)C=Cc3c(C)nn(c2ccccc2)c3Cl
- Standard InChI
- InChI=1S/C20H17ClN2O/c1-14-8-10-16(11-9-14)19(24)13-12-18-15(2)22-23(20(18)21)17-6-4-3-5-7-17/h3-13H,1-2H3/b13-12+
- Stored Murcko scaffold
- n1cc(C=C[CH]c2ccccc2)cn1-c3ccccc3
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
- 2
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 34.89 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 336.815 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 5.157
- 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 · 17386325