Molecule card · MolClass #41662
847321
847321: 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
- 847321Mitochondrial Fusion · compound_name
- MolClass ID
- 41662
- InChIKey
- HXPQYHOOPMSIGW-UHFFFAOYSA-N
- Canonical SMILES
- Cc3nn(c1cccc(c1)Cl)c4OC(N)=C(C#N)C(c2cccnc2)c34
- Standard InChI
- InChI=1S/C19H14ClN5O/c1-11-16-17(12-4-3-7-23-10-12)15(9-21)18(22)26-19(16)25(24-11)14-6-2-5-13(20)8-14/h2-8,10,17H,22H2,1H3
- Stored Murcko scaffold
- n1cccc(c1)C2C=COc3c2cnn3-c4ccccc4
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
- 4
- 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
- 89.75 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 363.801 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.28
- 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 · 847321