Molecule card · MolClass #48961
24833422
24833422: 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
- 24833422Mitochondrial Fusion · compound_name
- MolClass ID
- 48961
- InChIKey
- FUIYIXDZTPMQEH-UHFFFAOYSA-N
- Canonical SMILES
- O=C(Nc1cccnc1)c2ccc(c(c2)S(=O)(=O)N4CCc3ccccc34)Cl
- Standard InChI
- InChI=1S/C20H16ClN3O3S/c21-17-8-7-15(20(25)23-16-5-3-10-22-13-16)12-19(17)28(26,27)24-11-9-14-4-1-2-6-18(14)24/h1-8,10,12-13H,9,11H2,(H,23,25)
- Stored Murcko scaffold
- n1cccc(c1)N[CH]c2cccc(SN3c4ccccc4CC3)c2
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
- 5
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 87.75 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 413.879 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.585
- 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 · 24833422