Molecule card · MolClass #37148
14730206
14730206: 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
- 14730206Mitochondrial Fusion · compound_name
- MolClass ID
- 37148
- InChIKey
- BVABHBZKKZEGCF-DOMZBBRYSA-N
- Canonical SMILES
- CN5C(=O)C4=C(OCC3COc2ccc1ccccc1c2C34)N(C)C5(=O)
- Standard InChI
- InChI=1S/C20H18N2O4/c1-21-18(23)17-15-12(10-26-19(17)22(2)20(21)24)9-25-14-8-7-11-5-3-4-6-13(11)16(14)15/h3-8,12,15H,9-10H2,1-2H3/t12-,15+/m1/s1
- Stored Murcko scaffold
- n1cnc2OCC3COc4ccc5ccccc5c4C3c2c1
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
- 5
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 0
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 59.08 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 350.369 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.31
- 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 · 14730206