Molecule card · MolClass #38758
17407215
17407215: 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
- 17407215Mitochondrial Fusion · compound_name
- MolClass ID
- 38758
- InChIKey
- GGYCQSIZBDCWQJ-RGVLZGJSSA-N
- Canonical SMILES
- COc4cccc(C=NN3N=Nc2c(cnn2(c1ccccc1))C3(=O))c4
- Standard InChI
- InChI=1S/C18H14N6O2/c1-26-15-9-5-6-13(10-15)11-20-24-18(25)16-12-19-23(17(16)21-22-24)14-7-3-2-4-8-14/h2-12H,1H3/b20-11+
- Stored Murcko scaffold
- N1=NN(N=Cc2ccccc2)[CH]c3cnn(-c4ccccc4)c13
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
- 6
- 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
- 84.44 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 346.343 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.233
- 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 · 17407215