General Information of the Compound
| Compound ID |
CP0533848
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| Compound Name |
(E)-3-[4-[(E)-1-(1,3-benzothiazol-5-yl)-2-(2-chloro-4-methoxyphenyl)-2-cyclobutylethenyl]phenyl]prop-2-enoic acid
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| Structure |
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| Formula |
C29H24ClNO3S
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| Molecular Weight |
502.035
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| Canonical SMILES |
COc1ccc(\C(C2CCC2)=C(/c2ccc(\C=C\C(O)=O)cc2)c2ccc3scnc3c2)c(Cl)c1
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| InChI |
InChI=1S/C29H24ClNO3S/c1-34-22-11-12-23(24(30)16-22)29(19-3-2-4-19)28(21-10-13-26-25(15-21)31-17-35-26)20-8-5-18(6-9-20)7-14-27(32)33/h5-17,19H,2-4H2,1H3,(H,32,33)/b14-7+,29-28+
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| InChIKey |
FQJCNJNXJOVYNW-ZDZQMEADSA-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