Molecule card · MolClass #50318
17515831
17515831: 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
- 17515831Mitochondrial Fusion · compound_name
- MolClass ID
- 50318
- InChIKey
- FNMYFEDKXNXGMJ-UHFFFAOYSA-N
- Canonical SMILES
- Cc2nc1ccc(cc1s2)S(=O)(=O)Nc3cccc(c3)c5nc4cccnc4s5
- Standard InChI
- InChI=1S/C20H14N4O2S3/c1-12-22-16-8-7-15(11-18(16)27-12)29(25,26)24-14-5-2-4-13(10-14)19-23-17-6-3-9-21-20(17)28-19/h2-11,24H,1H3
- Stored Murcko scaffold
- n1csc2cc(SNc3cccc(c3)-c4nc5cccnc5s4)ccc12
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
- 6
- 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
- 149.7 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 438.55 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.802
- 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 · 17515831