Molecule card · MolClass #51522
14739624
14739624: 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
- 14739624Mitochondrial Fusion · compound_name
- MolClass ID
- 51522
- InChIKey
- GGAYKOPTOLHDON-UHFFFAOYSA-N
- Canonical SMILES
- CCOC(=O)N1CCN(CC1)CC(O)COC2CC(C)CCC2(C(C)C)
- Standard InChI
- InChI=1S/C20H38N2O4/c1-5-25-20(24)22-10-8-21(9-11-22)13-17(23)14-26-19-12-16(4)6-7-18(19)15(2)3/h15-19,23H,5-14H2,1-4H3
- Stored Murcko scaffold
- [N]1CCN(CC1)CCCOC2CCCCC2
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
- 6
- 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
- 62.24 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 370.527 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.937
- 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 · 14739624