Molecule card · MolClass #43430
24826915
24826915: 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
- 24826915Mitochondrial Fusion · compound_name
- MolClass ID
- 43430
- InChIKey
- OLISKNSREZHXGQ-UHFFFAOYSA-N
- Canonical SMILES
- COCCN(C(=O)CSc1nc2nc(C)cc(C)n2(n1))C=4C(=O)NC(=O)N(Cc3ccccc3)C=4(N)
- Standard InChI
- InChI=1S/C23H26N8O4S/c1-14-11-15(2)31-21(25-14)27-22(28-31)36-13-17(32)29(9-10-35-3)18-19(24)30(23(34)26-20(18)33)12-16-7-5-4-6-8-16/h4-8,11H,9-10,12-13,24H2,1-3H3,(H,26,33,34)
- Stored Murcko scaffold
- n1cccn2nc(nc12)SC[CH][N]C=3[CH]N[CH]N(C3)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.
No other molecules currently have this stored scaffold.
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 11
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 10
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 173.35 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 510.571 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 0.758
- 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 · 24826915