General Information of the Compound
| Compound ID |
CP0475756
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| Compound Name |
(E)-3-[4-[[1-(2,3-dihydro-1-benzofuran-5-yl)ethyl-[[4-[2-(2,5-dioxopyrrolidin-1-yl)ethoxy]-3-methoxyphenyl]methyl]amino]methyl]phenyl]prop-2-enoic acid
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| Structure |
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| Formula |
C34H36N2O7
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| Molecular Weight |
584.669
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| Canonical SMILES |
COc1cc(CN(Cc2ccc(\C=C\C(O)=O)cc2)C(C)c2ccc3OCCc3c2)ccc1OCCN1C(=O)CCC1=O
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| InChI |
InChI=1S/C34H36N2O7/c1-23(27-9-11-29-28(20-27)15-17-42-29)35(21-25-5-3-24(4-6-25)8-14-34(39)40)22-26-7-10-30(31(19-26)41-2)43-18-16-36-32(37)12-13-33(36)38/h3-11,14,19-20,23H,12-13,15-18,21-22H2,1-2H3,(H,39,40)/b14-8+
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| InChIKey |
MOUKXPFYSUILDP-RIYZIHGNSA-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