Molecule card · MolClass #51845
14726304
14726304: 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
- 14726304Mitochondrial Fusion · compound_name
- MolClass ID
- 51845
- InChIKey
- RYADUHJRXKVSOM-UHFFFAOYSA-N
- Canonical SMILES
- CC2=C(C(=O)N(c1ccccc1)N2(C))N3C(=O)c5cccc4cccc(C3(=O))c45
- Standard InChI
- InChI=1S/C23H17N3O3/c1-14-20(23(29)26(24(14)2)16-10-4-3-5-11-16)25-21(27)17-12-6-8-15-9-7-13-18(19(15)17)22(25)28/h3-13H,1-2H3
- Stored Murcko scaffold
- c1ccc(cc1)N2[CH]C(=CN2)N3[CH]c4cccc5cccc([CH]3)c54
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
- 6
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 2
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 60.93 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 383.4 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.59
- 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 · 14726304