General Information of the Compound
| Compound ID |
CP0477163
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| Compound Name |
(E)-3-[4-[(E)-2-(4-chloro-2-cyanophenyl)-2-cyclobutyl-1-(4-morpholin-4-ylphenyl)ethenyl]phenyl]prop-2-enoic acid
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| Structure |
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| Formula |
C32H29ClN2O3
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| Molecular Weight |
525.048
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| Canonical SMILES |
OC(=O)\C=C\c1ccc(cc1)C(=C(\C1CCC1)c1ccc(Cl)cc1C#N)\c1ccc(cc1)N1CCOCC1
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| InChI |
InChI=1S/C32H29ClN2O3/c33-27-11-14-29(26(20-27)21-34)32(23-2-1-3-23)31(24-7-4-22(5-8-24)6-15-30(36)37)25-9-12-28(13-10-25)35-16-18-38-19-17-35/h4-15,20,23H,1-3,16-19H2,(H,36,37)/b15-6+,32-31+
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| InChIKey |
ZHSXXERKZHUPNR-MEOMNHLGSA-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