Molecule card · MolClass #47964
24813829
24813829: 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
- 24813829Mitochondrial Fusion · compound_name
- MolClass ID
- 47964
- InChIKey
- JZPRNODNPCZPRF-MHWRWJLKSA-N
- Canonical SMILES
- CC(N=Cc1cc(ccc1(O))[N+](=O)[O-])c2ccccc2
- Standard InChI
- InChI=1S/C15H14N2O3/c1-11(12-5-3-2-4-6-12)16-10-13-9-14(17(19)20)7-8-15(13)18/h2-11,18H,1H3/b16-10+
- Stored Murcko scaffold
- N(=Cc1ccccc1)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.
- 7974383#29329
- BTB 00693#65455
- PD 00408#81119
- S 03802#81234
- Clc1cc(Cl)cc(C=NCc2ccccc2)c1#150751
- Oc1c(I)cc(I)cc1C=NCc1ccc(F)cc1#151818
- CC(=NCc1ccc(Cl)c(Cl)c1)c1ccccc1O#151850
- Brc1cccc(C=NCc2ccccc2)c1#154155
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 2
- 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
- 75.73 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 270.284 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.41
- 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 · 24813829