Molecule card · MolClass #43482
843370
843370: 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
- 843370Mitochondrial Fusion · compound_name
- MolClass ID
- 43482
- InChIKey
- IWLZNVQGZISRKT-UHFFFAOYSA-N
- Canonical SMILES
- COc1ccc(cc1(OC))C3CC(Nc2ncnn23)c4ccccc4Cl
- Standard InChI
- InChI=1S/C19H19ClN4O2/c1-25-17-8-7-12(9-18(17)26-2)16-10-15(13-5-3-4-6-14(13)20)23-19-21-11-22-24(16)19/h3-9,11,15-16H,10H2,1-2H3,(H,21,22,23)
- 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
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 61.2 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 370.833 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.9
- 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 · 843370