Molecule card · MolClass #38722
7967406
7967406: 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
- 7967406Mitochondrial Fusion · compound_name
- MolClass ID
- 38722
- InChIKey
- OZMYKLSIWONMIE-UHFFFAOYSA-N
- Canonical SMILES
- CCOc1ccccc1C3N4CCCC4(C(=O)N3(c2ccc(cc2)OC))
- Standard InChI
- InChI=1S/C21H24N2O3/c1-3-26-19-9-5-4-7-17(19)20-22-14-6-8-18(22)21(24)23(20)15-10-12-16(25-2)13-11-15/h4-5,7,9-13,18,20H,3,6,8,14H2,1-2H3
- 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
- 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
- 42.01 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 352.428 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.545
- 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 · 7967406