Molecule card · MolClass #51194
17401856
17401856: 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
- 17401856Mitochondrial Fusion · compound_name
- MolClass ID
- 51194
- InChIKey
- WQMOQUADXZKYHF-UHFFFAOYSA-N
- Canonical SMILES
- O=C4c1ccccc1C(Nc2ccc(cn2)Cl)N4(Cc3ccccc3)
- Standard InChI
- InChI=1S/C20H16ClN3O/c21-15-10-11-18(22-12-15)23-19-16-8-4-5-9-17(16)20(25)24(19)13-14-6-2-1-3-7-14/h1-12,19H,13H2,(H,22,23)
- Stored Murcko scaffold
- n1ccccc1NC2c3ccccc3[CH]N2Cc4ccccc4
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
- 4
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 45.23 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 349.814 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.763
- 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 · 17401856