Molecule card · MolClass #45020
7971542
7971542: 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
- 7971542Mitochondrial Fusion · compound_name
- MolClass ID
- 45020
- InChIKey
- ZUAMMHYNGMEMGE-UHFFFAOYSA-N
- Canonical SMILES
- O=C(CN3C=Nc2c(nnn2(Cc1ccccc1))C3(=O))c4ccc(cc4)Cl
- Standard InChI
- InChI=1S/C19H14ClN5O2/c20-15-8-6-14(7-9-15)16(26)11-24-12-21-18-17(19(24)27)22-23-25(18)10-13-4-2-1-3-5-13/h1-9,12H,10-11H2
- Stored Murcko scaffold
- n1nn(c2N=CN([CH]c12)C[CH]c3ccccc3)Cc4ccccc4
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.
No other molecules currently have this stored scaffold.
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 6
- 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
- 80.45 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 379.8 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.997
- 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 · 7971542