Molecule card · MolClass #39153
17401910
17401910: 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
- 17401910Mitochondrial Fusion · compound_name
- MolClass ID
- 39153
- InChIKey
- JMVHIGRVULAARF-GIJQJNRQSA-N
- Canonical SMILES
- COc1cc(ccc1(O))C=NNc2nn4cnnc4(c3ccccc23)
- Standard InChI
- InChI=1S/C17H14N6O2/c1-25-15-8-11(6-7-14(15)24)9-18-20-16-12-4-2-3-5-13(12)17-21-19-10-23(17)22-16/h2-10,24H,1H3,(H,20,22)/b18-9+
- Stored Murcko scaffold
- n1nc2c3ccccc3c(nn2c1)NN=Cc4ccccc4
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
- 6
- 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
- 96.93 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 334.333 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 5.884
- 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 · 17401910