General Information of the Compound
| Compound ID |
CP0500290
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| Compound Name |
1-[2-[4-[[1-(2,3-dihydro-1-benzofuran-5-yl)ethyl-[[4-(2H-tetrazol-5-yl)phenyl]methyl]amino]methyl]-2-methoxyphenoxy]ethyl]pyrrolidine-2,5-dione
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| Structure |
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| Formula |
C32H34N6O5
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| Molecular Weight |
582.661
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| Canonical SMILES |
COc1cc(CN(Cc2ccc(cc2)-c2nnn[nH]2)C(C)c2ccc3OCCc3c2)ccc1OCCN1C(=O)CCC1=O
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| InChI |
InChI=1S/C32H34N6O5/c1-21(25-8-10-27-26(18-25)13-15-42-27)37(19-22-3-6-24(7-4-22)32-33-35-36-34-32)20-23-5-9-28(29(17-23)41-2)43-16-14-38-30(39)11-12-31(38)40/h3-10,17-18,21H,11-16,19-20H2,1-2H3,(H,33,34,35,36)
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| InChIKey |
BEDLUCQNYSEXAU-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