General Information of the Compound
| Compound ID |
CP0471090
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| Compound Name |
2-[(3S)-6-[2-[3-[2,6-dimethyl-4-(3-methylsulfonylpropoxy)phenyl]phenyl]ethyl]-2,3-dihydro-1-benzofuran-3-yl]acetic acid
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| Structure |
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| Formula |
C30H34O6S
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| Molecular Weight |
522.663
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| Canonical SMILES |
Cc1cc(OCCCS(C)(=O)=O)cc(C)c1-c1cccc(CCc2ccc3[C@H](CC(O)=O)COc3c2)c1
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| InChI |
InChI=1S/C30H34O6S/c1-20-14-26(35-12-5-13-37(3,33)34)15-21(2)30(20)24-7-4-6-22(16-24)8-9-23-10-11-27-25(18-29(31)32)19-36-28(27)17-23/h4,6-7,10-11,14-17,25H,5,8-9,12-13,18-19H2,1-3H3,(H,31,32)/t25-/m1/s1
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| InChIKey |
AIIFSCQSZOCUOU-RUZDIDTESA-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