Molecule card · MolClass #51820
14727259
14727259: 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
- 14727259Mitochondrial Fusion · compound_name
- MolClass ID
- 51820
- InChIKey
- SGYJJYITWMLWJY-UHFFFAOYSA-N
- Canonical SMILES
- CC(C)(C)n4nnnc4(C(c1cccnc1)N(Cc2ccccc2)Cc3cccs3)
- Standard InChI
- InChI=1S/C23H26N6S/c1-23(2,3)29-22(25-26-27-29)21(19-11-7-13-24-15-19)28(17-20-12-8-14-30-20)16-18-9-5-4-6-10-18/h4-15,21H,16-17H2,1-3H3
- Stored Murcko scaffold
- n1n[nH]c(n1)C(c2cnccc2)N(Cc3sccc3)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
- 5
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 8
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 87.97 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 418.56 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.076
- 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 · 14727259