Molecule card · MolClass #41791
24835482
24835482: 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
- 24835482Mitochondrial Fusion · compound_name
- MolClass ID
- 41791
- InChIKey
- QUTHCFPIMOSWBK-UHFFFAOYSA-N
- Canonical SMILES
- Cc1csc(n1)SCC(=O)N(C)C3=C(N)N(Cc2ccccc2)C(=O)NC3(=O)
- Standard InChI
- InChI=1S/C18H19N5O3S2/c1-11-9-27-18(20-11)28-10-13(24)22(2)14-15(19)23(17(26)21-16(14)25)8-12-6-4-3-5-7-12/h3-7,9H,8,10,19H2,1-2H3,(H,21,25,26)
- Stored Murcko scaffold
- n1ccsc1SC[CH][N]C=2[CH]N[CH]N(C2)Cc3ccccc3
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
- 8
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 7
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 162.17 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 417.508 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.089
- 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 · 24835482