Molecule card · MolClass #52284
3711631
3711631: 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
- 3711631Mitochondrial Fusion · compound_name
- MolClass ID
- 52284
- InChIKey
- KBSSLURKVBNDSL-UHFFFAOYSA-N
- Canonical SMILES
- Cc1cccc(c1(C))N2CCN(CC2)C(=O)c3ccc(c(c3)S(=O)(=O)NCc4ccco4)Cl
- Standard InChI
- InChI=1S/C24H26ClN3O4S/c1-17-5-3-7-22(18(17)2)27-10-12-28(13-11-27)24(29)19-8-9-21(25)23(15-19)33(30,31)26-16-20-6-4-14-32-20/h3-9,14-15,26H,10-13,16H2,1-2H3
- Stored Murcko scaffold
- o1cccc1CNSc2cccc(c2)[CH]N3CCN(c4ccccc4)CC3
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
- 7
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 91.24 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 488.001 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.041
- 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 · 3711631