General Information of the Compound
| Compound ID |
CP0485928
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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]butanoic acid
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| Structure |
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| Formula |
C32H40N2O7
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| Molecular Weight |
564.679
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| Canonical SMILES |
COc1cc(CN(CCCC(O)=O)C(C2CCCC2)c2ccc3OCCc3c2)ccc1OCCN1C(=O)CCC1=O
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| InChI |
InChI=1S/C32H40N2O7/c1-39-28-19-22(8-10-27(28)41-18-16-34-29(35)12-13-30(34)36)21-33(15-4-7-31(37)38)32(23-5-2-3-6-23)25-9-11-26-24(20-25)14-17-40-26/h8-11,19-20,23,32H,2-7,12-18,21H2,1H3,(H,37,38)
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| InChIKey |
DFPJJNDBYIOBTF-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