Molecule card · MolClass #51130
17406684
17406684: 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
- 17406684Mitochondrial Fusion · compound_name
- MolClass ID
- 51130
- InChIKey
- CCQIQGXVQVCHEG-UHFFFAOYSA-N
- Canonical SMILES
- CNc1oc(nc1P(=O)(c2ccccc2)c3ccccc3)c4ccc(cc4)Cl
- Standard InChI
- InChI=1S/C22H18ClN2O2P/c1-24-21-22(25-20(27-21)16-12-14-17(23)15-13-16)28(26,18-8-4-2-5-9-18)19-10-6-3-7-11-19/h2-15,24H,1H3
- Stored Murcko scaffold
- n1c(occ1P(c2ccccc2)c3ccccc3)-c4ccccc4
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
- 5
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 64.94 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 408.818 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 6.393
- 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 · 17406684