Molecule card · MolClass #36215
4264847
4264847: 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
- 4264847Mitochondrial Fusion · compound_name
- MolClass ID
- 36215
- InChIKey
- NMYJCQQCPVPSSE-PKNBQFBNSA-N
- Canonical SMILES
- COC(O)=C3C(C)=Nc1ncnn1C3(c2ccco2)
- Standard InChI
- InChI=1S/C12H12N4O3/c1-7-9(11(17)18-2)10(8-4-3-5-19-8)16-12(15-7)13-6-14-16/h3-6,10,17H,1-2H3/b11-9+
- Stored Murcko scaffold
- n1cnn2c1N=C[CH]C2c3occc3
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
- 5
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 2
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 85.67 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 260.249 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 0.539
- 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 · 4264847