Molecule card · MolClass #47256
17508308
17508308: 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
- 17508308Mitochondrial Fusion · compound_name
- MolClass ID
- 47256
- InChIKey
- GXZVRQITTAVVOD-WUXMJOGZSA-N
- Canonical SMILES
- CCC(NC(=O)C(=Cc1ccc2OCOc2(c1))NC(C)=O)C(=O)O
- Standard InChI
- InChI=1S/C16H18N2O6/c1-3-11(16(21)22)18-15(20)12(17-9(2)19)6-10-4-5-13-14(7-10)24-8-23-13/h4-7,11H,3,8H2,1-2H3,(H,17,19)(H,18,20)(H,21,22)/b12-6+
- Stored Murcko scaffold
- O1c2ccccc2OC1
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.
View all molecules with this scaffold →Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 6
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 3
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 8
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 113.96 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 334.325 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- -1.133
- 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 · 17508308