Molecule card · MolClass #38956
24799407
24799407: 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
- 24799407Mitochondrial Fusion · compound_name
- MolClass ID
- 38956
- InChIKey
- CZWGFFHPJWEFQP-UHFFFAOYSA-N
- Canonical SMILES
- Cc3ccc(CN1CCN(CC1(CCO))Cc2cnc(C)s2)o3
- Standard InChI
- InChI=1S/C17H25N3O2S/c1-13-3-4-16(22-13)11-20-7-6-19(10-15(20)5-8-21)12-17-9-18-14(2)23-17/h3-4,9,15,21H,5-8,10-12H2,1-2H3
- Stored Murcko scaffold
- n1csc(c1)CN2CCN(Cc3occc3)CC2
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
- 4
- 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
- 80.98 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 335.466 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- -0.199
- 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 · 24799407