Molecule card · MolClass #50821
17432282
17432282: 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
- 17432282Mitochondrial Fusion · compound_name
- MolClass ID
- 50821
- InChIKey
- NCRVVMWPMXNGQR-UHFFFAOYSA-N
- Canonical SMILES
- Cc1cccc(c1)OP(=O)(NCc2ccccc2)Oc3cccc(C)c3
- Standard InChI
- InChI=1S/C21H22NO3P/c1-17-8-6-12-20(14-17)24-26(23,22-16-19-10-4-3-5-11-19)25-21-13-7-9-18(2)15-21/h3-15H,16H2,1-2H3,(H,22,23)
- Stored Murcko scaffold
- O(c1ccccc1)P(Oc2ccccc2)NCc3ccccc3
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
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 7
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 57.37 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 367.379 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 5.532
- 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 · 17432282