Molecule card · MolClass #43996
24823126
24823126: 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
- 24823126Mitochondrial Fusion · compound_name
- MolClass ID
- 43996
- InChIKey
- SCVGYZVGMGTVLX-UHFFFAOYSA-N
- Canonical SMILES
- COC(=O)c2cc(C(=O)NCc1ccccc1)c(O)nc2(C)
- Standard InChI
- InChI=1S/C16H16N2O4/c1-10-12(16(21)22-2)8-13(15(20)18-10)14(19)17-9-11-6-4-3-5-7-11/h3-8H,9H2,1-2H3,(H,17,19)(H,18,20)
- Stored Murcko scaffold
- n1cccc(c1)[CH]NCc2ccccc2
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
- 6
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 6
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 88.52 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 300.31 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.316
- 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 · 24823126