Molecule card · MolClass #39393
860424
860424: 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
- 860424Mitochondrial Fusion · compound_name
- MolClass ID
- 39393
- InChIKey
- HUDWMABWHZFEIK-UHFFFAOYSA-N
- Canonical SMILES
- CCCC2C3C(=O)N(C(=O)C3(ON2(c1ccccc1)))c4ccccc4(OC)
- Standard InChI
- InChI=1S/C21H22N2O4/c1-3-9-16-18-19(27-23(16)14-10-5-4-6-11-14)21(25)22(20(18)24)15-12-7-8-13-17(15)26-2/h4-8,10-13,16,18-19H,3,9H2,1-2H3
- Stored Murcko scaffold
- O1N(c2ccccc2)CC3[CH]N([CH]C13)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.
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 3
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 5
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 59.08 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 366.411 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3
- 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 · 860424