Molecule card · MolClass #37061
17407014
17407014: 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
- 17407014Mitochondrial Fusion · compound_name
- MolClass ID
- 37061
- InChIKey
- ZWWSSORPFHFYDR-OAHLLOKOSA-N
- Canonical SMILES
- CCOc1c2ccc(cc2(nn1(CCOC)))C(=O)NC(C)C3CCCCC3
- Standard InChI
- InChI=1S/C21H31N3O3/c1-4-27-21-18-11-10-17(14-19(18)23-24(21)12-13-26-3)20(25)22-15(2)16-8-6-5-7-9-16/h10-11,14-16H,4-9,12-13H2,1-3H3,(H,22,25)/t15-/m1/s1
- 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.
- 17407025#38504
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
- 373.49 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 5.215
- 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 · 17407014