Molecule card · MolClass #42776
24820488
24820488: 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
- 24820488Mitochondrial Fusion · compound_name
- MolClass ID
- 42776
- InChIKey
- SPSVXFOVFYNJAR-UHFFFAOYSA-N
- Canonical SMILES
- CCCSC1=CC(=O)N(N=C1(C(=O)OCC))c2ccc(F)cc2
- Standard InChI
- InChI=1S/C16H17FN2O3S/c1-3-9-23-13-10-14(20)19(12-7-5-11(17)6-8-12)18-15(13)16(21)22-4-2/h5-8,10H,3-4,9H2,1-2H3
- Stored Murcko scaffold
- N1=CC=C[CH]N1c2ccccc2
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.
View all molecules with this scaffold →Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 5
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 7
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 84.27 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 336.383 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.615
- 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 · 24820488