Molecule card · MolClass #39212
7965774
7965774: 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
- 7965774Mitochondrial Fusion · compound_name
- MolClass ID
- 39212
- InChIKey
- WIJVHGUDRPFNMQ-UHFFFAOYSA-N
- Canonical SMILES
- CCc1ccc(cc1)C3CC(Nc2nc(N)nn23)c4ccccc4Cl
- Standard InChI
- InChI=1S/C19H20ClN5/c1-2-12-7-9-13(10-8-12)17-11-16(14-5-3-4-6-15(14)20)22-19-23-18(21)24-25(17)19/h3-10,16-17H,2,11H2,1H3,(H3,21,22,23,24)
- 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
- 4
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 3
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 68.76 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 353.849 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.905
- 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 · 7965774