General Information of the Compound
| Compound ID |
CP0897617
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| Compound Name |
5-(5-(2-(allyloxy)-5-bromobenzylidene)-4-oxo-4,5-dihydrothiazol-2-ylamino)-2-chlorobenzoic acid
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| Structure |
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| Formula |
C20H14BrClN2O4S
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| Molecular Weight |
493.766
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| Canonical SMILES |
C=CCOc1ccc(Br)cc1/C=C1\SC(Nc2ccc(Cl)c(C(=O)O)c2)=NC1=O
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| InChI |
InChI=1S/C20H14BrClN2O4S/c1-2-7-28-16-6-3-12(21)8-11(16)9-17-18(25)24-20(29-17)23-13-4-5-15(22)14(10-13)19(26)27/h2-6,8-10H,1,7H2,(H,26,27)(H,23,24,25)/b17-9-
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| InChIKey |
MQSHNYJRZDTWIS-MFOYZWKCSA-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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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound