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Structure
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| Relationships |
Total Number of functionally related protein(s) :
2
Total Number of Articles : 1
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| PubChem |
53362017
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| Molecular Formula |
C17H17Cl3N4O2S2 |
| SMILES |
CN1CCN(CC1)NC(=O)CN2C(=O)/C(=C/C3=C(C=CC(=C3Cl)Cl)Cl)/SC2=S |
| InChI |
InChI=1S/C17H17Cl3N4O2S2/c1-22-4-6-23(7-5-22)21-14(25)9-24-16(26)13(28-17(24)27)8-10-11(18)2-3-12(19)15(10)20/h2-3,8H,4-7,9H2,1H3,(H,21,25)/b13-8- |
| synonyms |
- ML302
- CHEMBL4068716
- (Z)-N-(4-Methylpiperazin-1-yl)-2-(4-oxo-2-thioxo-5-(2,3,6-trichlorobenzylidene)thiazolidin-3-yl)acetamide
- N-(4-Methylpiperazin-1-Yl)-2-[(5z)-4-Oxo-2-Thioxo-5-(2,3,6-Trichlorobenzylidene)-1,3-Thiazolidin-3-Yl]acetamide
- SR-03000002555
- MLS003940491
- SCHEMBL17651842
- GLXC-03615
- BDBM50247639
- SMR002627424
- SR-03000002555-1
- SR-03000002555-2
- SR-03000002555-3
- Q27465506
- 1639949-05-5
- N-(4-methylpiperazin-1-yl)-2-(4-oxo-2-thioxo-5-(2,3,6-trichlorobenzylidene)thiazolidin-3-yl)acetamide
- N-(4-methylpiperazin-1-yl)-2-[(5Z)-4-oxo-2-sulfanylidene-5-[(2,3,6-trichlorophenyl)methylidene]-1,3-thiazolidin-3-yl]acetamide
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| Properties |
| Property |
Value |
| MW |
479.8 g/mol |
| HBD |
1 |
| HBA |
6 |
| Rotatable Bond Count |
4 |
| Exact Mass |
477.985851 g/mol |
| Monoisotopic Mass |
477.985851 g/mol |
| Heavy Atom Count |
28 |
| Isotope Atom Count |
0 |
| Atom Stereo Count |
0 |
| Covalent Unit Count |
1 |
| Complexity |
673 |
| xlogp |
4.3 |
| Topological Polar Surface Area |
113 |
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