Molecule card · MolClass #44163
7967617
7967617: 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
- 7967617Mitochondrial Fusion · compound_name
- MolClass ID
- 44163
- InChIKey
- KXZXAUDKIOKFDM-UHFFFAOYSA-N
- Canonical SMILES
- COc1cccc(c1)N4C(=O)C2CCCN2C4(c3ccc(cc3)N(C)C)
- Standard InChI
- InChI=1S/C21H25N3O2/c1-22(2)16-11-9-15(10-12-16)20-23-13-5-8-19(23)21(25)24(20)17-6-4-7-18(14-17)26-3/h4,6-7,9-12,14,19-20H,5,8,13H2,1-3H3
- Stored Murcko scaffold
- c1ccc(cc1)N2[CH]C3N(CCC3)C2c4ccccc4
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.
View all molecules with this 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
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 36.02 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 351.443 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.416
- 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 · 7967617