Molecule card · MolClass #38118
24786520
24786520: 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
- 24786520Mitochondrial Fusion · compound_name
- MolClass ID
- 38118
- InChIKey
- IXZQBMRNYLFLPA-UHFFFAOYSA-N
- Canonical SMILES
- CCOC(=O)CN2c1ccccc1N3N=C(CCC(=O)O)C(=O)N=C23
- Standard InChI
- InChI=1S/C16H16N4O5/c1-2-25-14(23)9-19-11-5-3-4-6-12(11)20-16(19)17-15(24)10(18-20)7-8-13(21)22/h3-6H,2,7-9H2,1H3,(H,21,22)
- Stored Murcko scaffold
- N=1[CH]C=NN2C1Nc3ccccc32
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
- 9
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 7
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 111.87 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 344.323 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.721
- 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 · 24786520