Molecule card · MolClass #40038
17507061
17507061: 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
- 17507061Mitochondrial Fusion · compound_name
- MolClass ID
- 40038
- InChIKey
- UTPLQTTYEQYLDB-UHFFFAOYSA-N
- Canonical SMILES
- CC(=O)NC2=NN(C(C)=O)C(C)(CCS(=O)(=O)c1ccc(c(c1)Cl)Cl)S2
- Standard InChI
- InChI=1S/C15H17Cl2N3O4S2/c1-9(21)18-14-19-20(10(2)22)15(3,25-14)6-7-26(23,24)11-4-5-12(16)13(17)8-11/h4-5,8H,6-7H2,1-3H3,(H,18,19,21)
- Stored Murcko scaffold
- N=1[N]C(SC1)CCSc2ccccc2
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
- 7
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 7
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 129.59 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 438.352 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.24
- 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 · 17507061