Molecule card · MolClass #44764
24827612
24827612: 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
- 24827612Mitochondrial Fusion · compound_name
- MolClass ID
- 44764
- InChIKey
- SORPHKXDNJOKFM-UHFFFAOYSA-N
- Canonical SMILES
- Cc2nnc(n2(Cc1ccccc1))SCC(=O)N(C)C4=C(N)N(Cc3ccccc3)C(=O)NC4(=O)
- Standard InChI
- InChI=1S/C24H25N7O3S/c1-16-27-28-24(30(16)13-17-9-5-3-6-10-17)35-15-19(32)29(2)20-21(25)31(23(34)26-22(20)33)14-18-11-7-4-8-12-18/h3-12H,13-15,25H2,1-2H3,(H,26,33,34)
- Stored Murcko scaffold
- n1nc(SC[CH][N]C=2[CH]N[CH]N(C2)Cc3ccccc3)n(c1)Cc4ccccc4
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.
- 24831429#48161
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
- 151.75 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 491.567 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.621
- 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 · 24827612