Molecule card · MolClass #50749
17433915
17433915: 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
- 17433915Mitochondrial Fusion · compound_name
- MolClass ID
- 50749
- InChIKey
- GPPXLMFXTPOOLR-UHFFFAOYSA-N
- Canonical SMILES
- Cc1ccc(cc1)SC(C)C(=O)Nc3ccccc3(c2ccccc2)
- Standard InChI
- InChI=1S/C22H21NOS/c1-16-12-14-19(15-13-16)25-17(2)22(24)23-21-11-7-6-10-20(21)18-8-4-3-5-9-18/h3-15,17H,1-2H3,(H,23,24)
- Stored Murcko scaffold
- S(c1ccccc1)C[CH]Nc2ccccc2-c3ccccc3
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.
- 17506246#50656
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
- 6
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 54.4 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 347.475 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 5.907
- 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 · 17433915