Molecule card · MolClass #47240
24834905
24834905: 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
- 24834905Mitochondrial Fusion · compound_name
- MolClass ID
- 47240
- InChIKey
- FVHRHJBBJASQDU-WYMLVPIESA-N
- Canonical SMILES
- C=CCN(c1ccccc1(C(=O)O))S(=O)(=O)C=Cc2ccccc2
- Standard InChI
- InChI=1S/C18H17NO4S/c1-2-13-19(17-11-7-6-10-16(17)18(20)21)24(22,23)14-12-15-8-4-3-5-9-15/h2-12,14H,1,13H2,(H,20,21)/b14-12+
- Stored Murcko scaffold
- S(C=Cc1ccccc1)Nc2ccccc2
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.
- 858402#43658
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
- 83.06 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 343.399 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.11
- 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 · 24834905