Molecule card · MolClass #40207
24802765
24802765: 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
- 24802765Mitochondrial Fusion · compound_name
- MolClass ID
- 40207
- InChIKey
- JJPTUTYARXXKSR-UHFFFAOYSA-N
- Canonical SMILES
- Cc2c(c(nn2(CC(=O)NCc1cccnc1))[N+](=O)[O-])Cl
- Standard InChI
- InChI=1S/C12H12ClN5O3/c1-8-11(13)12(18(20)21)16-17(8)7-10(19)15-6-9-3-2-4-14-5-9/h2-5H,6-7H2,1H3,(H,15,19)
- Stored Murcko scaffold
- n1cccc(c1)CN[CH]Cn2nccc2
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
- 4
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 6
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 102.95 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 309.709 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.257
- 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 · 24802765