Molecule card · MolClass #43350
17401637
17401637: 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
- 17401637Mitochondrial Fusion · compound_name
- MolClass ID
- 43350
- InChIKey
- CIZWSSIJKJDBIZ-UHFFFAOYSA-N
- Canonical SMILES
- Cc1ccc(cc1)S(=O)(=O)Nc3nc4NC(=O)CC(c2ccc(cc2)Cl)n4(n3)
- Standard InChI
- InChI=1S/C18H16ClN5O3S/c1-11-2-8-14(9-3-11)28(26,27)23-17-21-18-20-16(25)10-15(24(18)22-17)12-4-6-13(19)7-5-12/h2-9,15H,10H2,1H3,(H2,20,21,22,23,25)
- Stored Murcko scaffold
- n1c(nn2c1N[CH]CC2c3ccccc3)NSc4ccccc4
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.
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 7
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 114.36 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 417.871 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.218
- 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 · 17401637