Molecule card · MolClass #44403
24814409
24814409: 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
- 24814409Mitochondrial Fusion · compound_name
- MolClass ID
- 44403
- InChIKey
- AMWUHDSYVXTDNB-UHFFFAOYSA-N
- Canonical SMILES
- Cc1cccc(c1(C))n4nc2CS(=O)(=O)Cc2c4(NC(=O)c3ccco3)
- Standard InChI
- InChI=1S/C18H17N3O4S/c1-11-5-3-6-15(12(11)2)21-17(19-18(22)16-7-4-8-25-16)13-9-26(23,24)10-14(13)20-21/h3-8H,9-10H2,1-2H3,(H,19,22)
- Stored Murcko scaffold
- n1c2c(c(N[CH]c3occc3)n1-c4ccccc4)CSC2
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
- 5
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 102.58 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 371.412 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.835
- 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 · 24814409