Molecule card · MolClass #43631
14743204
14743204: 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
- 14743204Mitochondrial Fusion · compound_name
- MolClass ID
- 43631
- InChIKey
- UHRBDHPBCHWWAG-LJQANCHMSA-N
- Canonical SMILES
- CN4c1ccccc1C(C)(C)C24(C=Cc3cc(O)ccc3(O2))
- Standard InChI
- InChI=1S/C19H19NO2/c1-18(2)15-6-4-5-7-16(15)20(3)19(18)11-10-13-12-14(21)8-9-17(13)22-19/h4-12,21H,1-3H3/t19-/m1/s1
- Stored Murcko scaffold
- O1c2ccccc2C=CC13Nc4ccccc4C3
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
- 2
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 0
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 32.7 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 293.36 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.229
- 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 · 14743204