Molecule card · MolClass #51500
14740316
14740316: 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
- 14740316Mitochondrial Fusion · compound_name
- MolClass ID
- 51500
- InChIKey
- CSXDJDQEQGACBI-UHFFFAOYSA-N
- Canonical SMILES
- COc1ccccc1C2CN(N=C2c3cccs3)c4ccc(F)cc4(F)
- Standard InChI
- InChI=1S/C20H16F2N2OS/c1-25-18-6-3-2-5-14(18)15-12-24(17-9-8-13(21)11-16(17)22)23-20(15)19-7-4-10-26-19/h2-11,15H,12H2,1H3
- Stored Murcko scaffold
- N1=C(c2sccc2)C(c3ccccc3)CN1c4ccccc4
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.
- 14732495#33816
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 2
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 53.07 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 370.417 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.565
- 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 · 14740316