Molecule card · MolClass #45690
14736273
14736273: 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
- 14736273Mitochondrial Fusion · compound_name
- MolClass ID
- 45690
- InChIKey
- RNRLIXQYUVBVHH-AWNIVKPZSA-N
- Canonical SMILES
- Oc2cccc(C=NNC(=O)Cc1nnc(O)nc1(O))c2
- Standard InChI
- InChI=1S/C12H11N5O4/c18-8-3-1-2-7(4-8)6-13-16-10(19)5-9-11(20)14-12(21)17-15-9/h1-4,6,18H,5H2,(H,16,19)(H2,14,17,20,21)/b13-6+
- Stored Murcko scaffold
- n1nc(cnc1)C[CH]NN=Cc2ccccc2
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
- 9
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 4
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 5
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 140.82 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 289.247 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.01
- 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 · 14736273