General Information of the Compound
| Compound ID |
CP0484060
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| Compound Name |
(E)-3-[4-[(E)-1-(1,3-benzothiazol-5-yl)-2-cyclobutyl-2-phenylethenyl]phenyl]prop-2-enoic acid
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| Structure |
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| Formula |
C28H23NO2S
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| Molecular Weight |
437.564
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| Canonical SMILES |
OC(=O)\C=C\c1ccc(cc1)C(=C(\C1CCC1)c1ccccc1)\c1ccc2scnc2c1
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| InChI |
InChI=1S/C28H23NO2S/c30-26(31)16-11-19-9-12-22(13-10-19)28(23-14-15-25-24(17-23)29-18-32-25)27(21-7-4-8-21)20-5-2-1-3-6-20/h1-3,5-6,9-18,21H,4,7-8H2,(H,30,31)/b16-11+,28-27-
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| InChIKey |
YZCIUZSDAQTSGT-WKVUNKNDSA-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