General Information of the Compound
| Compound ID |
CP0487311
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| Compound Name |
2-(2'-(((benzyloxycarbonyl)(ethyl)amino)methyl)-6-methoxy-4'-(methylsulfonyl)biphenyl-3-yl)acetic acid
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| Structure |
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| Formula |
C27H29NO7S
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| Molecular Weight |
511.596
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| Canonical SMILES |
CCN(Cc1cc(ccc1-c1cc(CC(O)=O)ccc1OC)S(C)(=O)=O)C(=O)OCc1ccccc1
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| InChI |
InChI=1S/C27H29NO7S/c1-4-28(27(31)35-18-19-8-6-5-7-9-19)17-21-16-22(36(3,32)33)11-12-23(21)24-14-20(15-26(29)30)10-13-25(24)34-2/h5-14,16H,4,15,17-18H2,1-3H3,(H,29,30)
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| InChIKey |
PTOIKQXZYXVBMZ-UHFFFAOYSA-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