Molecule card · MolClass #51389
14746171
14746171: 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
- 14746171Mitochondrial Fusion · compound_name
- MolClass ID
- 51389
- InChIKey
- FGNKXRHWJDHQSL-UHFFFAOYSA-N
- Canonical SMILES
- NC(=O)c1ccc(cc1)NC(=O)CCCN2C(=O)c3ccccc3(C2(=O))
- Standard InChI
- InChI=1S/C19H17N3O4/c20-17(24)12-7-9-13(10-8-12)21-16(23)6-3-11-22-18(25)14-4-1-2-5-15(14)19(22)26/h1-2,4-5,7-10H,3,6,11H2,(H2,20,24)(H,21,23)
- Stored Murcko scaffold
- c1ccc(cc1)N[CH]CCCn2cc3ccccc3c2
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
- 7
- 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
- 109.57 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 351.357 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.275
- 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 · 14746171