General Information of the Compound
| Compound ID |
CP0033958
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| Compound Name |
(Z)-2-(5-(4-bromobenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)-3-methylbutanoic acid
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| Structure |
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| Formula |
C15H14BrNO3S2
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| Molecular Weight |
400.319
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| Canonical SMILES |
CC(C)C(N1C(=S)S\C(=C/c2ccc(Br)cc2)C1=O)C(O)=O
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| InChI |
InChI=1S/C15H14BrNO3S2/c1-8(2)12(14(19)20)17-13(18)11(22-15(17)21)7-9-3-5-10(16)6-4-9/h3-8,12H,1-2H3,(H,19,20)/b11-7-
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| InChIKey |
COHIEJLWRGREHV-XFFZJAGNSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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