Molecule card · MolClass #42758
14738403
14738403: 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
- 14738403Mitochondrial Fusion · compound_name
- MolClass ID
- 42758
- InChIKey
- RLRYVZUSIHYLCN-UHFFFAOYSA-N
- Canonical SMILES
- Cc2c3C=NN(CC(=O)O)C(=O)c3(c(C)n2(Cc1ccccc1))
- Standard InChI
- InChI=1S/C17H17N3O3/c1-11-14-8-18-20(10-15(21)22)17(23)16(14)12(2)19(11)9-13-6-4-3-5-7-13/h3-8H,9-10H2,1-2H3,(H,21,22)
- Stored Murcko scaffold
- n1ncc2cn(cc2c1)Cc3ccccc3
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
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 74.9 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 311.336 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.933
- 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 · 14738403