Molecule card · MolClass #39182
7975198
7975198: 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
- 7975198Mitochondrial Fusion · compound_name
- MolClass ID
- 39182
- InChIKey
- WWHFQRGCCRXFNB-UHFFFAOYSA-N
- Canonical SMILES
- COc1ccc(cc1)N2C(=O)CC(C2(=O))N4CCCC3CCCCC34
- Standard InChI
- InChI=1S/C20H26N2O3/c1-25-16-10-8-15(9-11-16)22-19(23)13-18(20(22)24)21-12-4-6-14-5-2-3-7-17(14)21/h8-11,14,17-18H,2-7,12-13H2,1H3
- Stored Murcko scaffold
- c1ccc(cc1)N2[CH]CC([CH]2)N3CCCC4CCCCC34
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
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 3
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 49.85 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 342.433 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.659
- 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 · 7975198