General Information of the Compound
| Compound ID |
CP0477377
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| Compound Name |
(E)-3-[4-[(E)-1-(1,3-benzothiazol-5-yl)-2-(2-chloro-4-cyanophenyl)-2-cyclobutylethenyl]phenyl]prop-2-enoic acid
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| Structure |
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| Formula |
C29H21ClN2O2S
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| Molecular Weight |
497.019
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| Canonical SMILES |
OC(=O)\C=C\c1ccc(cc1)C(=C(\C1CCC1)c1ccc(cc1Cl)C#N)\c1ccc2scnc2c1
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| InChI |
InChI=1S/C29H21ClN2O2S/c30-24-14-19(16-31)6-11-23(24)29(20-2-1-3-20)28(22-10-12-26-25(15-22)32-17-35-26)21-8-4-18(5-9-21)7-13-27(33)34/h4-15,17,20H,1-3H2,(H,33,34)/b13-7+,29-28+
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| InChIKey |
CSQPHUKZKGLPRM-ZCERPGNRSA-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