Molecule card · MolClass #40759
24820427
24820427: 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
- 24820427Mitochondrial Fusion · compound_name
- MolClass ID
- 40759
- InChIKey
- QYZJUWJXPDGINW-UHFFFAOYSA-N
- Canonical SMILES
- COc1ccc(cc1)NC(=O)c2c(N)no[n+]2([O-])
- Standard InChI
- InChI=1S/C10H10N4O4/c1-17-7-4-2-6(3-5-7)12-10(15)8-9(11)13-18-14(8)16/h2-5H,1H3,(H2,11,13)(H,12,15)
- Stored Murcko scaffold
- n1o[nH+]c(c1)[CH]Nc2ccccc2
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.
- 24821663#44228
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 3
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 117.32 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 250.211 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.276
- 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 · 24820427