Molecule card · MolClass #51912
14721580
14721580: 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
- 14721580Mitochondrial Fusion · compound_name
- MolClass ID
- 51912
- InChIKey
- ZGBGMIHXFBCKFI-UHFFFAOYSA-N
- Canonical SMILES
- N=C(NOC(=O)Cc1ccc(cc1)c2ccccc2)c3ccccn3
- Standard InChI
- InChI=1S/C20H17N3O2/c21-20(18-8-4-5-13-22-18)23-25-19(24)14-15-9-11-17(12-10-15)16-6-2-1-3-7-16/h1-13H,14H2,(H2,21,23)
- Stored Murcko scaffold
- n1ccccc1[CH]NO[CH]Cc2ccc(cc2)-c3ccccc3
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
- 3
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 7
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 75.07 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 331.369 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.534
- 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 · 14721580