Molecule card · MolClass #49040
24828284
24828284: 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
- 24828284Mitochondrial Fusion · compound_name
- MolClass ID
- 49040
- InChIKey
- GCWFBJNERWTBLJ-UHFFFAOYSA-N
- Canonical SMILES
- CCc1ccc(cc1)OCc2nnc(n2(C(C)CCCC(C)C))S
- Standard InChI
- InChI=1S/C19H29N3OS/c1-5-16-9-11-17(12-10-16)23-13-18-20-21-19(24)22(18)15(4)8-6-7-14(2)3/h9-12,14-15H,5-8,13H2,1-4H3,(H,21,24)
- Stored Murcko scaffold
- n1nc([nH]c1)COc2ccccc2
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
- 2
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 9
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 78.74 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 347.52 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 7.733
- 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 · 24828284