Molecule card · MolClass #51700
14731055
14731055: 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
- 14731055Mitochondrial Fusion · compound_name
- MolClass ID
- 51700
- InChIKey
- AHWLNYUKCUYVBM-UHFFFAOYSA-N
- Canonical SMILES
- Cc1ccc(cc1)NNC(=O)C(O)(c2cccc(c2)C(F)(F)F)c3cccc(c3)C(F)(F)F
- Standard InChI
- InChI=1S/C23H18F6N2O2/c1-14-8-10-19(11-9-14)30-31-20(32)21(33,15-4-2-6-17(12-15)22(24,25)26)16-5-3-7-18(13-16)23(27,28)29/h2-13,30,33H,1H3,(H,31,32)
- Stored Murcko scaffold
- c1ccc(cc1)NN[CH]C(c2ccccc2)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.
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 4
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 3
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 8
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 61.36 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 468.392 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 6.873
- 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 · 14731055