Molecule card · MolClass #45806
17409704
17409704: 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
- 17409704Mitochondrial Fusion · compound_name
- MolClass ID
- 45806
- InChIKey
- YXQFPFUKTDCPOJ-UHFFFAOYSA-N
- Canonical SMILES
- CN2C(=O)C(=Nc1ccccc12)Oc3cc(cc(c3)Cl)Cl
- Standard InChI
- InChI=1S/C15H10Cl2N2O2/c1-19-13-5-3-2-4-12(13)18-14(15(19)20)21-11-7-9(16)6-10(17)8-11/h2-8H,1H3
- Stored Murcko scaffold
- n1cc(nc2ccccc12)Oc3ccccc3
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.
- LOPAC 01292#1154
- 11957724#9413
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
- 2
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 41.9 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 321.159 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.577
- 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 · 17409704