Molecule card · MolClass #45223
14722501
14722501: 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
- 14722501Mitochondrial Fusion · compound_name
- MolClass ID
- 45223
- InChIKey
- BPPHRVWNQQYIKO-UHFFFAOYSA-N
- Canonical SMILES
- Oc1ccccc1C2N=C(NC(=N2)c3ccccc3)c4ccccc4
- Standard InChI
- InChI=1S/C21H17N3O/c25-18-14-8-7-13-17(18)21-23-19(15-9-3-1-4-10-15)22-20(24-21)16-11-5-2-6-12-16/h1-14,21,25H,(H,22,23,24)
- Stored Murcko scaffold
- N1=C(NC(=NC1c2ccccc2)c3ccccc3)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
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 3
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 56.98 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 327.38 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 5.333
- 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 · 14722501