Molecule card · MolClass #49513
24795329
24795329: 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
- 24795329Mitochondrial Fusion · compound_name
- MolClass ID
- 49513
- InChIKey
- JFVXGMCWCRFNIA-UHFFFAOYSA-N
- Canonical SMILES
- Cc2ccc(OCCCCNC1CCCC(C)C1(C))c(C)c2
- Standard InChI
- InChI=1S/C20H33NO/c1-15-10-11-20(17(3)14-15)22-13-6-5-12-21-19-9-7-8-16(2)18(19)4/h10-11,14,16,18-19,21H,5-9,12-13H2,1-4H3
- Stored Murcko scaffold
- O(c1ccccc1)CCCCNC2CCCCC2
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
- 1
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 7
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 21.26 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 303.483 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 5.563
- 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 · 24795329