Molecule card · MolClass #41766
17407006
17407006: 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
- 17407006Mitochondrial Fusion · compound_name
- MolClass ID
- 41766
- InChIKey
- QCSLUDWWRGJULW-UHFFFAOYSA-N
- Canonical SMILES
- CCCCn2nc1cc(ccc1c2(OCC))C(=O)NCc3ccccc3
- Standard InChI
- InChI=1S/C21H25N3O2/c1-3-5-13-24-21(26-4-2)18-12-11-17(14-19(18)23-24)20(25)22-15-16-9-7-6-8-10-16/h6-12,14H,3-5,13,15H2,1-2H3,(H,22,25)
- 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
- 3
- 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
- 56.15 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 351.443 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 5.56
- 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 · 17407006