Molecule card · MolClass #50668
17506367
17506367: 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
- 17506367Mitochondrial Fusion · compound_name
- MolClass ID
- 50668
- InChIKey
- UEQOJMFNISKIRW-UHFFFAOYSA-N
- Canonical SMILES
- COc2cc(ccc2(C(=O)NCCOc1ccc(C)c(C)c1))SC
- Standard InChI
- InChI=1S/C19H23NO3S/c1-13-5-6-15(11-14(13)2)23-10-9-20-19(21)17-8-7-16(24-4)12-18(17)22-3/h5-8,11-12H,9-10H2,1-4H3,(H,20,21)
- Stored Murcko scaffold
- O(c1ccccc1)CCN[CH]c2ccccc2
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.
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 2
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 8
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 72.86 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 345.458 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.685
- 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 · 17506367