Molecule card · MolClass #37692
4258060
4258060: 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
- 4258060Mitochondrial Fusion · compound_name
- MolClass ID
- 37692
- InChIKey
- MTVCENXAXFNNOH-FYWRMAATSA-N
- Canonical SMILES
- CCOC(O)=C4C(C)=Nc1ncnn1C4(c2ccc3OCOc3(c2))
- Standard InChI
- InChI=1S/C16H16N4O4/c1-3-22-15(21)13-9(2)19-16-17-7-18-20(16)14(13)10-4-5-11-12(6-10)24-8-23-11/h4-7,14,21H,3,8H2,1-2H3/b15-13+
- Stored Murcko scaffold
- n1cnn2c1N=C[CH]C2c3ccc4OCOc4c3
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
- 3
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 90.99 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 328.323 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.754
- 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 · 4258060