Molecule card · MolClass #42603
24817166
24817166: 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
- 24817166Mitochondrial Fusion · compound_name
- MolClass ID
- 42603
- InChIKey
- UDCZFJPNGCIIIF-UHFFFAOYSA-N
- Canonical SMILES
- CCOC(=O)c1c(N)n(nc1(OCCO))c2ccccc2
- Standard InChI
- InChI=1S/C14H17N3O4/c1-2-20-14(19)11-12(15)17(10-6-4-3-5-7-10)16-13(11)21-9-8-18/h3-7,18H,2,8-9,15H2,1H3
- Stored Murcko scaffold
- n1cccn1-c2ccccc2
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.
View all molecules with this scaffold →Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 5
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 7
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 99.6 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 291.303 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.075
- 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 · 24817166