Molecule card · MolClass #37387
3713836
3713836: 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
- 3713836Mitochondrial Fusion · compound_name
- MolClass ID
- 37387
- InChIKey
- OAMPTHUGDBMHER-UHFFFAOYSA-N
- Canonical SMILES
- O=C2CCC3(c1ccc(F)cc1)(N2C(CS3)C(=O)N4CCCCCC4)
- Standard InChI
- InChI=1S/C19H23FN2O2S/c20-15-7-5-14(6-8-15)19-10-9-17(23)22(19)16(13-25-19)18(24)21-11-3-1-2-4-12-21/h5-8,16H,1-4,9-13H2
- Stored Murcko scaffold
- S1CC([CH]N2CCCCCC2)N3[CH]CCC13c4ccccc4
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
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 3
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 65.92 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 362.463 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.533
- 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 · 3713836