Molecule card · MolClass #36291
14743563
14743563: 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
- 14743563Mitochondrial Fusion · compound_name
- MolClass ID
- 36291
- InChIKey
- GPRQXQPNMIKRDD-UHFFFAOYSA-N
- Canonical SMILES
- CCSc3nnc2N(N)C(=O)c1ccccc1n23
- Standard InChI
- InChI=1S/C11H11N5OS/c1-2-18-11-14-13-10-15(11)8-6-4-3-5-7(8)9(17)16(10)12/h3-6H,2,12H2,1H3
- Stored Murcko scaffold
- n1nc2ncc3ccccc3n2c1
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.
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
- 2
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 102.34 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 261.304 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.561
- 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 · 14743563