Molecule card · MolClass #51544
14738353
14738353: 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
- 14738353Mitochondrial Fusion · compound_name
- MolClass ID
- 51544
- InChIKey
- SJHZSFLBEFCELY-YBFXNURJSA-N
- Canonical SMILES
- CCOC(=O)C3=C(C)N4C(=O)C(=Cc1cccc(c1)[N+](=O)[O-])SC4(=NC3(c2ccc(O)c(c2)OC))
- Standard InChI
- InChI=1S/C24H21N3O7S/c1-4-34-23(30)20-13(2)26-22(29)19(11-14-6-5-7-16(10-14)27(31)32)35-24(26)25-21(20)15-8-9-17(28)18(12-15)33-3/h5-12,21,28H,4H2,1-3H3/b19-11+
- Stored Murcko scaffold
- N1=C2SC(=Cc3ccccc3)[CH]N2C=CC1c4ccccc4
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
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 7
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 156.87 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 495.506 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.143
- 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 · 14738353