Molecule card · MolClass #36707
14723707
14723707: 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
- 14723707Mitochondrial Fusion · compound_name
- MolClass ID
- 36707
- InChIKey
- CNAWXJJHGKZWGQ-UHFFFAOYSA-N
- Canonical SMILES
- CC(C)OC(=O)CSc3nnc2cc(C)c1ccccc1n23
- Standard InChI
- InChI=1S/C16H17N3O2S/c1-10(2)21-15(20)9-22-16-18-17-14-8-11(3)12-6-4-5-7-13(12)19(14)16/h4-8,10H,9H2,1-3H3
- Stored Murcko scaffold
- n1nc2ccc3ccccc3n2c1
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
- 4
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 5
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 81.79 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 315.392 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 5.64
- 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 · 14723707