Molecule card · MolClass #35755
14736005
14736005: 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
- 14736005Mitochondrial Fusion · compound_name
- MolClass ID
- 35755
- InChIKey
- CFKSJGAQSULBLG-UHFFFAOYSA-N
- Canonical SMILES
- C=CCSc3nnc2NC4=Nc1c(C)cccc1C4(=Nn23)
- Standard InChI
- InChI=1S/C14H12N6S/c1-3-7-21-14-18-17-13-16-12-11(19-20(13)14)9-6-4-5-8(2)10(9)15-12/h3-6H,1,7H2,2H3,(H,15,16,17)
- Stored Murcko scaffold
- n1nc2NC3=Nc4ccccc4C3=Nn2c1
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
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 3
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 92.76 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 296.352 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.023
- 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 · 14736005