Molecule card · MolClass #43249
14730529
14730529: 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
- 14730529Mitochondrial Fusion · compound_name
- MolClass ID
- 43249
- InChIKey
- IFKMMKIUQLXHEJ-UHFFFAOYSA-N
- Canonical SMILES
- CCCCCCSC2=NC(O)=C(C(=O)N2(c1ccccc1))C4OC(=O)c3c4(ccc(OC)c3(OC))
- Standard InChI
- InChI=1S/C26H28N2O6S/c1-4-5-6-10-15-35-26-27-23(29)20(24(30)28(26)16-11-8-7-9-12-16)21-17-13-14-18(32-2)22(33-3)19(17)25(31)34-21/h7-9,11-14,21,29H,4-6,10,15H2,1-3H3
- Stored Murcko scaffold
- N=1C=C([CH]N(C1)c2ccccc2)C3O[CH]c4ccccc43
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
- 10
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 122.96 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 496.577 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.706
- 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 · 14730529