Molecule card · MolClass #47709
4243655
4243655: 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
- 4243655Mitochondrial Fusion · compound_name
- MolClass ID
- 47709
- InChIKey
- OSGJNVRENNHKQW-UHFFFAOYSA-N
- Canonical SMILES
- CC(=O)OC3CC(C)(C)N(OC(=O)CCCN1C(=O)c2ccccc2(C1(=O)))C(C)(C)C3
- Standard InChI
- InChI=1S/C23H30N2O6/c1-15(26)30-16-13-22(2,3)25(23(4,5)14-16)31-19(27)11-8-12-24-20(28)17-9-6-7-10-18(17)21(24)29/h6-7,9-10,16H,8,11-14H2,1-5H3
- Stored Murcko scaffold
- O([CH]CCCn1cc2ccccc2c1)N3CCCCC3
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
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 8
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 93.22 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 430.495 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.08
- 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 · 4243655