Molecule card · MolClass #51569
14736147
14736147: 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
- 14736147Mitochondrial Fusion · compound_name
- MolClass ID
- 51569
- InChIKey
- ZDHSCSYVHBENQJ-UHFFFAOYSA-N
- Canonical SMILES
- Cc3nn(c(OC(=O)c1ccc2OCOc2(c1))c3Sc4ccccc4)C(C)(C)C
- Standard InChI
- InChI=1S/C22H22N2O4S/c1-14-19(29-16-8-6-5-7-9-16)20(24(23-14)22(2,3)4)28-21(25)15-10-11-17-18(12-15)27-13-26-17/h5-12H,13H2,1-4H3
- Stored Murcko scaffold
- n1cc(Sc2ccccc2)c(O[CH]c3ccc4OCOc4c3)[nH]1
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
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 6
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 87.88 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 410.488 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 5.711
- 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 · 14736147