Molecule card · MolClass #36486
14730027
14730027: 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
- 14730027Mitochondrial Fusion · compound_name
- MolClass ID
- 36486
- InChIKey
- BIGVZRKGMZDRJW-UHFFFAOYSA-N
- Canonical SMILES
- COc4cccc3c4(OCC2COC1=C(C(=O)N(C)C(=O)N1(C))C23)
- Standard InChI
- InChI=1S/C17H18N2O5/c1-18-15(20)13-12-9(8-24-16(13)19(2)17(18)21)7-23-14-10(12)5-4-6-11(14)22-3/h4-6,9,12H,7-8H2,1-3H3
- Stored Murcko scaffold
- n1cnc2OCC3COc4ccccc4C3c2c1
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
- 5
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 1
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 68.31 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 330.336 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 0.691
- 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 · 14730027