Molecule card · MolClass #47238
17387136
17387136: 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
- 17387136Mitochondrial Fusion · compound_name
- MolClass ID
- 47238
- InChIKey
- RAFUWYVVLMWDPD-RIYZIHGNSA-N
- Canonical SMILES
- COC(=O)C(C)N2C(=O)C(=Cc1cc(C)n(C(C)C)c1(C))SC2(=O)
- Standard InChI
- InChI=1S/C17H22N2O4S/c1-9(2)18-10(3)7-13(11(18)4)8-14-15(20)19(17(22)24-14)12(5)16(21)23-6/h7-9,12H,1-6H3/b14-8+
- Stored Murcko scaffold
- [N]1[CH]SC([CH]1)=Cc2cc[nH]c2
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
- 5
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 5
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 93.91 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 350.434 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.216
- 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 · 17387136