Molecule card · MolClass #51785
14728270
14728270: 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
- 14728270Mitochondrial Fusion · compound_name
- MolClass ID
- 51785
- InChIKey
- NBRAHZGCBSZXDC-UHFFFAOYSA-N
- Canonical SMILES
- COC(=O)C3C(C)=CC(Nc1ccc(C)cc1)=C(C(=O)OC)C3(c2ccc(F)cc2)
- Standard InChI
- InChI=1S/C24H24FNO4/c1-14-5-11-18(12-6-14)26-19-13-15(2)20(23(27)29-3)21(22(19)24(28)30-4)16-7-9-17(25)10-8-16/h5-13,20-21,26H,1-4H3
- Stored Murcko scaffold
- c1ccc(cc1)NC=2C=CCC(C2)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.
- 14728082#51784
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 5
- 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
- 64.63 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 409.451 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.348
- 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 · 14728270