Molecule card · MolClass #47450
24820165
24820165: 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
- 24820165Mitochondrial Fusion · compound_name
- MolClass ID
- 47450
- InChIKey
- FZAONMCBNOFXCD-UHFFFAOYSA-N
- Canonical SMILES
- COc1ccc(cc1)C(=O)NC=C2C(=O)OC(C)(C)OC2(=O)
- Standard InChI
- InChI=1S/C15H15NO6/c1-15(2)21-13(18)11(14(19)22-15)8-16-12(17)9-4-6-10(20-3)7-5-9/h4-8H,1-3H3,(H,16,17)
- Stored Murcko scaffold
- O1[CH]C([CH]OC1)=CN[CH]c2ccccc2
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
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 90.93 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 305.283 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.004
- 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 · 24820165