Molecule card · MolClass #36410
24783082
24783082: 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
- 24783082Mitochondrial Fusion · compound_name
- MolClass ID
- 36410
- InChIKey
- RKFXUUTZWVHYKE-UHFFFAOYSA-N
- Canonical SMILES
- CC(C)c2onc(C(=O)Nc1cccnc1Cl)c2[N+](=O)[O-]
- Standard InChI
- InChI=1S/C12H11ClN4O4/c1-6(2)10-9(17(19)20)8(16-21-10)12(18)15-7-4-3-5-14-11(7)13/h3-6H,1-2H3,(H,15,18)
- Stored Murcko scaffold
- n1cccc(c1)N[CH]c2nocc2
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.
- 24781472#30042
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
- 5
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 111.16 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 310.694 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.091
- 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 · 24783082