Molecule card · MolClass #41676
24824397
24824397: 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
- 24824397Mitochondrial Fusion · compound_name
- MolClass ID
- 41676
- InChIKey
- IILZDCMDZJSKIU-UHFFFAOYSA-N
- Canonical SMILES
- CCOC(=O)c1cnc(nc1(O))n3nc(C)c(Cc2ccccc2)c3(O)
- Standard InChI
- InChI=1S/C18H18N4O4/c1-3-26-17(25)14-10-19-18(20-15(14)23)22-16(24)13(11(2)21-22)9-12-7-5-4-6-8-12/h4-8,10,24H,3,9H2,1-2H3,(H,19,20,23)
- Stored Murcko scaffold
- n1cccnc1-n2ncc(c2)Cc3ccccc3
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
- 7
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 6
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 110.36 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 354.361 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.685
- 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 · 24824397