Molecule card · MolClass #43369
17407126
17407126: 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
- 17407126Mitochondrial Fusion · compound_name
- MolClass ID
- 43369
- InChIKey
- VZLAHWIKLKAQFU-UHFFFAOYSA-N
- Canonical SMILES
- CCOc1c2ccc(cc2(nn1(C)))C(=O)NCCCCc3ccccc3
- Standard InChI
- InChI=1S/C21H25N3O2/c1-3-26-21-18-13-12-17(15-19(18)23-24(21)2)20(25)22-14-8-7-11-16-9-5-4-6-10-16/h4-6,9-10,12-13,15H,3,7-8,11,14H2,1-2H3,(H,22,25)
- Stored Murcko scaffold
- n1[nH]cc2ccc([CH]NCCCCc3ccccc3)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.
No other molecules currently have this stored scaffold.
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
- 5.295
- 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 · 17407126