Molecule card · MolClass #36305
14719315
14719315: 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
- 14719315Mitochondrial Fusion · compound_name
- MolClass ID
- 36305
- InChIKey
- OBZJZDHRXBKKTJ-UHFFFAOYSA-N
- Canonical SMILES
- NC(=O)c1cn(c2ncnc(N)c12)C3OC(CO)C(O)C3(O)
- Standard InChI
- InChI=1S/C12H15N5O5/c13-9-6-4(10(14)21)1-17(11(6)16-3-15-9)12-8(20)7(19)5(2-18)22-12/h1,3,5,7-8,12,18-20H,2H2,(H2,14,21)(H2,13,15,16)
- Stored Murcko scaffold
- n1cnc2c(c1)ccn2C3OCCC3
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
- 9
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 5
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 3
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 169.74 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 309.278 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- -1.754
- 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 · 14719315