Molecule card · MolClass #43494
24831241
24831241: 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
- 24831241Mitochondrial Fusion · compound_name
- MolClass ID
- 43494
- InChIKey
- IKLCUSCNODDJJL-UHFFFAOYSA-N
- Canonical SMILES
- CCc2cc1c(ncnc1s2)SCC(=O)N(CC)C4=C(N)N(Cc3ccccc3)C(=O)NC4(=O)
- Standard InChI
- InChI=1S/C23H24N6O3S2/c1-3-15-10-16-21(25-13-26-22(16)34-15)33-12-17(30)28(4-2)18-19(24)29(23(32)27-20(18)31)11-14-8-6-5-7-9-14/h5-10,13H,3-4,11-12,24H2,1-2H3,(H,27,31,32)
- Stored Murcko scaffold
- n1cnc(SC[CH][N]C=2[CH]N[CH]N(C2)Cc3ccccc3)c4ccsc14
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
- 9
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 9
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 175.06 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 496.608 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.521
- 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 · 24831241