Molecule card · MolClass #50532
17510147
17510147: 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
- 17510147Mitochondrial Fusion · compound_name
- MolClass ID
- 50532
- InChIKey
- VCTLOILZELOQBF-HAHDFKILSA-N
- Canonical SMILES
- CCOC(=O)C1CCCN(C1)C(=O)CN4C(=O)C(=Cc2ccc(cc2)OC)Oc3ccccc34
- Standard InChI
- InChI=1S/C26H28N2O6/c1-3-33-26(31)19-7-6-14-27(16-19)24(29)17-28-21-8-4-5-9-22(21)34-23(25(28)30)15-18-10-12-20(32-2)13-11-18/h4-5,8-13,15,19H,3,6-7,14,16-17H2,1-2H3/b23-15-
- Stored Murcko scaffold
- O1C(=Cc2ccccc2)[CH]N(c3ccccc13)C[CH]N4CCCCC4
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
- 85.38 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 464.511 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 · 17510147