Molecule card · MolClass #47108
7965657
7965657: 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
- 7965657Mitochondrial Fusion · compound_name
- MolClass ID
- 47108
- InChIKey
- CJELIFRFAHCATP-UHFFFAOYSA-N
- Canonical SMILES
- COc1ccc(cc1)C3CC(Nc2ncnn23)c4ccc(C)cc4
- Standard InChI
- InChI=1S/C19H20N4O/c1-13-3-5-14(6-4-13)17-11-18(23-19(22-17)20-12-21-23)15-7-9-16(24-2)10-8-15/h3-10,12,17-18H,11H2,1-2H3,(H,20,21,22)
- Stored Murcko scaffold
- n1cnn2c1NC(c3ccccc3)CC2c4ccccc4
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
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 3
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 51.97 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 320.389 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.068
- 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 · 7965657