Molecule card · MolClass #17811
1909601
1909601: molecular structure, identifiers, source datasets and 0 saved model results in MolClass.
2 source records · 0 model builds with saved results
Explore classification modelsStructure and identifiers
- Imported compound names
- 17410575Mitochondrial Fusion · compound_name
- MolClass ID
- 17811
- InChIKey
- MUVOHRFDONQGTG-UHFFFAOYSA-N
- Canonical SMILES
- CN(C)c1cc(CSC)nc(n1)SCc2ccc(cc2Cl)Cl
- Standard InChI
- InChI=1S/C15H17Cl2N3S2/c1-20(2)14-7-12(9-21-3)18-15(19-14)22-8-10-4-5-11(16)6-13(10)17/h4-7H,8-9H2,1-3H3
- Stored Murcko scaffold
- n1cccnc1SCc2ccccc2
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.
- 1985650#16348
- 17411236#30002
- 4257046#40768
- 17505388#41254
- 7975378#47624
- 17410955#51031
- CC(C)(C)c1ccc(CSc2nc(N)cc(O)n2)cc1#154504
- COC(=O)c1ccccc1CSc1nccc(n1)C(F)(F)F#154508
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 1
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 6
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 79.62 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 374.354 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.655
- 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.
Auto-fluorescence Prediction
Dataset #13 · 1909601
Mitochondrial Fusion
Dataset #19 · 17410575