Molecule card · MolClass #47062
24793847
24793847: 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
- 24793847Mitochondrial Fusion · compound_name
- MolClass ID
- 47062
- InChIKey
- BQCGOKSDTJKOTL-UHFFFAOYSA-N
- Canonical SMILES
- Cc1ccccc1N4C(=O)CC(Nc2ccc3OCOc3(c2))C4(=O)
- Standard InChI
- InChI=1S/C18H16N2O4/c1-11-4-2-3-5-14(11)20-17(21)9-13(18(20)22)19-12-6-7-15-16(8-12)24-10-23-15/h2-8,13,19H,9-10H2,1H3
- Stored Murcko scaffold
- O1c2ccc(cc2OC1)NC3[CH]N([CH]C3)c4ccccc4
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
- 4
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 3
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 67.87 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 324.331 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.285
- 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 · 24793847