Molecule card · MolClass #51419
14743775
14743775: 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
- 14743775Mitochondrial Fusion · compound_name
- MolClass ID
- 51419
- InChIKey
- GONGHYLZVDELKR-UHFFFAOYSA-N
- Canonical SMILES
- COc1cccc(c1)N3C(=O)C(c2ccccc2)=C(C3(NC(C)=O))c5nc4ccccc4s5
- Standard InChI
- InChI=1S/C26H21N3O3S/c1-16(30)27-24-23(25-28-20-13-6-7-14-21(20)33-25)22(17-9-4-3-5-10-17)26(31)29(24)18-11-8-12-19(15-18)32-2/h3-15,24H,1-2H3,(H,27,30)
- Stored Murcko scaffold
- n1c(sc2ccccc12)C3=C([CH]N(c4ccccc4)C3)c5ccccc5
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.
- 14743708#51417
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 5
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 6
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 99.77 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 455.53 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.105
- 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 · 14743775