General Information of the Compound
| Compound ID |
CP0447305
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| Compound Name |
(E)-3-[4-[2-(4-butylphenyl)-6-hydroxy-1-methyl-3,4-dihydroisoquinolin-1-yl]phenyl]prop-2-enoic acid
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| Structure |
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| Formula |
C29H31NO3
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| Molecular Weight |
441.571
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| Canonical SMILES |
CCCCc1ccc(cc1)N1CCc2cc(O)ccc2C1(C)c1ccc(\C=C\C(O)=O)cc1
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| InChI |
InChI=1S/C29H31NO3/c1-3-4-5-21-8-13-25(14-9-21)30-19-18-23-20-26(31)15-16-27(23)29(30,2)24-11-6-22(7-12-24)10-17-28(32)33/h6-17,20,31H,3-5,18-19H2,1-2H3,(H,32,33)/b17-10+
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| InChIKey |
KETMHJASIHHFNM-LICLKQGHSA-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