Molecule card · MolClass #36101
24794471
24794471: 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
- 24794471Mitochondrial Fusion · compound_name
- MolClass ID
- 36101
- InChIKey
- SOJDPCBGJCYKCJ-UHFFFAOYSA-N
- Canonical SMILES
- COc2ccccc2(Oc1nc(nn1(CC(N)=O))[N+](=O)[O-])
- Standard InChI
- InChI=1S/C11H11N5O5/c1-20-7-4-2-3-5-8(7)21-11-13-10(16(18)19)14-15(11)6-9(12)17/h2-5H,6H2,1H3,(H2,12,17)
- Stored Murcko scaffold
- n1cnc(Oc2ccccc2)[nH]1
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.
- 24781847#35915
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
- 135.4 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 293.236 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 0.389
- 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 · 24794471