Molecule card · MolClass #35847
24818688
24818688: 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
- 24818688Mitochondrial Fusion · compound_name
- MolClass ID
- 35847
- InChIKey
- BNZGVGWTFLOFAG-UHFFFAOYSA-N
- Canonical SMILES
- COC(=O)CC2=C(O)C=CN(C1CC1)C2(=O)
- Standard InChI
- InChI=1S/C11H13NO4/c1-16-10(14)6-8-9(13)4-5-12(11(8)15)7-2-3-7/h4-5,7,13H,2-3,6H2,1H3
- Stored Murcko scaffold
- C1=C[CH]N(C=C1)C2CC2
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
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 66.84 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 223.226 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 0.194
- 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 · 24818688