Molecule card · MolClass #38781
17407484
17407484: 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
- 17407484Mitochondrial Fusion · compound_name
- MolClass ID
- 38781
- InChIKey
- FQJXYLZZAAHNIN-UHFFFAOYSA-N
- Canonical SMILES
- CCOc1c2ccc(cc2(nn1(CCOC)))C(=O)NCc3ccccc3
- Standard InChI
- InChI=1S/C20H23N3O3/c1-3-26-20-17-10-9-16(13-18(17)22-23(20)11-12-25-2)19(24)21-14-15-7-5-4-6-8-15/h4-10,13H,3,11-12,14H2,1-2H3,(H,21,24)
- Stored Murcko scaffold
- n1[nH]cc2ccc([CH]NCc3ccccc3)cc12
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
- 4
- 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
- 65.38 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 353.416 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.02
- 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 · 17407484