Molecule card · MolClass #39800
865622
865622: 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
- 865622Mitochondrial Fusion · compound_name
- MolClass ID
- 39800
- InChIKey
- DOHFCELXUGKQMJ-UHFFFAOYSA-N
- Canonical SMILES
- Cc1c(cnn1(C))C(=O)c3no[n+]([O-])c3(C(=O)c2cnn(C)c2(C))
- Standard InChI
- InChI=1S/C14H14N6O4/c1-7-9(5-15-18(7)3)13(21)11-12(20(23)24-17-11)14(22)10-6-16-19(4)8(10)2/h5-6H,1-4H3
- Stored Murcko scaffold
- n1cc(c[nH]1)[CH]c2no[nH+]c2[CH]c3cn[nH]c3
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.
No other molecules currently have this stored scaffold.
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 4
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 122.75 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 330.299 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 0.937
- 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 · 865622