Molecule card · MolClass #43706
7966009
7966009: 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
- 7966009Mitochondrial Fusion · compound_name
- MolClass ID
- 43706
- InChIKey
- MEYFTBIXXHZJJB-UHFFFAOYSA-N
- Canonical SMILES
- c1ccc(cc1)C3CC(c2ccccc2Cl)n4ncnc4(N3)
- Standard InChI
- InChI=1S/C17H15ClN4/c18-14-9-5-4-8-13(14)16-10-15(12-6-2-1-3-7-12)21-17-19-11-20-22(16)17/h1-9,11,15-16H,10H2,(H,19,20,21)
- 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
- 2
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 42.74 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 310.781 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.338
- 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 · 7966009