Molecule card · MolClass #41255
24811950
24811950: 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
- 24811950Mitochondrial Fusion · compound_name
- MolClass ID
- 41255
- InChIKey
- OFFWWSNZKJRETB-FRKPEAEDSA-N
- Canonical SMILES
- CC(=NNc1c(c(C)nn1(C))[N+](=O)[O-])c2ccc(F)cc2(F)
- Standard InChI
- InChI=1S/C13H13F2N5O2/c1-7(10-5-4-9(14)6-11(10)15)16-17-13-12(20(21)22)8(2)18-19(13)3/h4-6,17H,1-3H3/b16-7+
- Stored Murcko scaffold
- n1ccc([nH]1)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.
- 1918599#13209
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 3
- 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
- 85.35 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 309.272 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 5.167
- 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 · 24811950