General Information of the Compound
| Compound ID |
CP0265749
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| Compound Name |
4-[5-[(Z)-(3-ethyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]furan-2-yl]benzoic acid
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| Structure |
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| Formula |
C17H13NO4S2
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| Molecular Weight |
359.428
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| Canonical SMILES |
CCN1C(=S)S\C(=C/c2ccc(o2)-c2ccc(cc2)C(O)=O)C1=O
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| InChI |
InChI=1S/C17H13NO4S2/c1-2-18-15(19)14(24-17(18)23)9-12-7-8-13(22-12)10-3-5-11(6-4-10)16(20)21/h3-9H,2H2,1H3,(H,20,21)/b14-9-
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| InChIKey |
JCOCDHYTHMMUHD-ZROIWOOFSA-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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