Molecule card · MolClass #51465
14742119
14742119: 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
- 14742119Mitochondrial Fusion · compound_name
- MolClass ID
- 51465
- InChIKey
- GINDWFFJWYJLCA-UHFFFAOYSA-N
- Canonical SMILES
- OC(c1c(cccc1Cl)Cl)P(=O)(OC2CCCCC2)OC3CCCCC3
- Standard InChI
- InChI=1S/C19H27Cl2O4P/c20-16-12-7-13-17(21)18(16)19(22)26(23,24-14-8-3-1-4-9-14)25-15-10-5-2-6-11-15/h7,12-15,19,22H,1-6,8-11H2
- Stored Murcko scaffold
- O(P(OC1CCCCC1)Cc2ccccc2)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
- 4
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 6
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 65.57 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 421.296 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 5.367
- 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 · 14742119