Molecule card · MolClass #45190
24828747
24828747: 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
- 24828747Mitochondrial Fusion · compound_name
- MolClass ID
- 45190
- InChIKey
- UOLAYEYCNZWYCE-IKBKFCNISA-N
- Canonical SMILES
- CCN(CC)P(=O)(C=C(c1ccccc1)Cl)C=C(c2ccccc2)Cl
- Standard InChI
- InChI=1S/C20H22Cl2NOP/c1-3-23(4-2)25(24,15-19(21)17-11-7-5-8-12-17)16-20(22)18-13-9-6-10-14-18/h5-16H,3-4H2,1-2H3/b19-15-,20-16-
- Stored Murcko scaffold
- c1ccc(cc1)C=CPC=Cc2ccccc2
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
- 7
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 30.12 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 394.275 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 6.415
- 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 · 24828747