Molecule card · MolClass #48443
24836982
24836982: 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
- 24836982Mitochondrial Fusion · compound_name
- MolClass ID
- 48443
- InChIKey
- FCWHIELKFUQLGG-GXDHUFHOSA-N
- Canonical SMILES
- CCOC(=O)C(C#N)=Cc2cn(CCC(=O)O)nc2(c1ccc(cc1)OC)
- Standard InChI
- InChI=1S/C19H19N3O5/c1-3-27-19(25)14(11-20)10-15-12-22(9-8-17(23)24)21-18(15)13-4-6-16(26-2)7-5-13/h4-7,10,12H,3,8-9H2,1-2H3,(H,23,24)/b14-10+
- Stored Murcko scaffold
- n1[nH]ccc1-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
- 6
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 9
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 114.44 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 369.372 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.1
- 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 · 24836982