Molecule card · MolClass #37173
7966686
7966686: 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
- 7966686Mitochondrial Fusion · compound_name
- MolClass ID
- 37173
- InChIKey
- IWPKIUUATILOBK-UHFFFAOYSA-N
- Canonical SMILES
- CC1CCC(CC1)NC(=O)Cn4ncc3C(=O)Oc2ccc(C)cc2c34
- Standard InChI
- InChI=1S/C20H23N3O3/c1-12-3-6-14(7-4-12)22-18(24)11-23-19-15-9-13(2)5-8-17(15)26-20(25)16(19)10-21-23/h5,8-10,12,14H,3-4,6-7,11H2,1-2H3,(H,22,24)
- Stored Murcko scaffold
- n1cc2[CH]Oc3ccccc3-c2n1C[CH]NC4CCCCC4
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
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 73.22 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 353.416 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.052
- 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 · 7966686