Molecule card · MolClass #37268
24787625
24787625: 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
- 24787625Mitochondrial Fusion · compound_name
- MolClass ID
- 37268
- InChIKey
- WHZFAKWATCCZPP-UHFFFAOYSA-N
- Canonical SMILES
- CC1(C)(Cc2nc3c(cc2(CS1))c(N)c(C(=O)O)s3)
- Standard InChI
- InChI=1S/C13H14N2O2S2/c1-13(2)4-8-6(5-18-13)3-7-9(14)10(12(16)17)19-11(7)15-8/h3H,4-5,14H2,1-2H3,(H,16,17)
- Stored Murcko scaffold
- n1c2sccc2cc3c1CCSC3
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
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 1
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 129.75 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 294.395 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.107
- 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 · 24787625