General Information of the Compound
| Compound ID |
CP0557869
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| Compound Name |
4-[[[cyclopentyl(2,3-dihydro-1-benzofuran-5-yl)methyl]-[[4-[2-(2,5-dioxopyrrolidin-1-yl)ethoxy]-3-methoxyphenyl]methyl]amino]methyl]benzoic acid
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| Structure |
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| Formula |
C36H40N2O7
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| Molecular Weight |
612.723
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| Canonical SMILES |
COc1cc(CN(Cc2ccc(cc2)C(O)=O)C(C2CCCC2)c2ccc3OCCc3c2)ccc1OCCN1C(=O)CCC1=O
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| InChI |
InChI=1S/C36H40N2O7/c1-43-32-20-25(8-12-31(32)45-19-17-38-33(39)14-15-34(38)40)23-37(22-24-6-9-27(10-7-24)36(41)42)35(26-4-2-3-5-26)29-11-13-30-28(21-29)16-18-44-30/h6-13,20-21,26,35H,2-5,14-19,22-23H2,1H3,(H,41,42)
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| InChIKey |
BCCPZEORNLYAAK-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