Molecule card · MolClass #51898
14722996
14722996: 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
- 14722996Mitochondrial Fusion · compound_name
- MolClass ID
- 51898
- InChIKey
- MNSYURHWSREJOF-UHFFFAOYSA-N
- Canonical SMILES
- Cc1cccc(c1)N(CC(O)CON=C3c4ccccc4(c2ccccc23))S(C)(=O)=O
- Standard InChI
- InChI=1S/C24H24N2O4S/c1-17-8-7-9-18(14-17)26(31(2,28)29)15-19(27)16-30-25-24-22-12-5-3-10-20(22)21-11-4-6-13-23(21)24/h3-14,19,27H,15-16H2,1-2H3
- Stored Murcko scaffold
- N(OCCCNc1ccccc1)=C2c3ccccc3-c4ccccc24
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
- 4
- 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
- 87.58 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 436.525 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 5.712
- 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 · 14722996