Molecule card · MolClass #39969
24782204
24782204: 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
- 24782204Mitochondrial Fusion · compound_name
- MolClass ID
- 39969
- InChIKey
- BGLHJJCPPXMESA-UHFFFAOYSA-N
- Canonical SMILES
- Cn2ccnc2(C(=O)c1ccc(NN)c(c1)[N+](=O)[O-])
- Standard InChI
- InChI=1S/C11H11N5O3/c1-15-5-4-13-11(15)10(17)7-2-3-8(14-12)9(6-7)16(18)19/h2-6,14H,12H2,1H3
- Stored Murcko scaffold
- n1cc[nH]c1[CH]c2ccccc2
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
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 116.08 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 261.237 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.337
- 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 · 24782204