Molecule card · MolClass #50624
17506515
17506515: 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
- 17506515Mitochondrial Fusion · compound_name
- MolClass ID
- 50624
- InChIKey
- SEBPEQPYVYKFRC-UHFFFAOYSA-N
- Canonical SMILES
- O=S(=O)(NC2CCCCC2(Oc1ccccc1))c3ccc(cc3)Cl
- Standard InChI
- InChI=1S/C18H20ClNO3S/c19-14-10-12-16(13-11-14)24(21,22)20-17-8-4-5-9-18(17)23-15-6-2-1-3-7-15/h1-3,6-7,10-13,17-18,20H,4-5,8-9H2
- Stored Murcko scaffold
- O(c1ccccc1)C2CCCCC2NSc3ccccc3
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.
- 17506673#50625
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 3
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 5
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 63.78 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 365.876 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.516
- 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 · 17506515