Molecule card · MolClass #51503
14739788
14739788: 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
- 14739788Mitochondrial Fusion · compound_name
- MolClass ID
- 51503
- InChIKey
- UVTLQYLBIYMCDX-UHFFFAOYSA-N
- Canonical SMILES
- Cc1ccc(o1)c4csc(NC(=O)c2ccc(cc2)c3ccccc3)n4
- Standard InChI
- InChI=1S/C21H16N2O2S/c1-14-7-12-19(25-14)18-13-26-21(22-18)23-20(24)17-10-8-16(9-11-17)15-5-3-2-4-6-15/h2-13H,1H3,(H,22,23,24)
- Stored Murcko scaffold
- n1c(scc1-c2occc2)N[CH]c3ccc(cc3)-c4ccccc4
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
- 3
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 5
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 83.37 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 360.431 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.705
- 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 · 14739788