General Information of the Compound
| Compound ID |
CP0502641
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| Compound Name |
(4S)4-{[(4-Butoxy-6-phenylpyridin-2-yl)carbonyl]amino}-5-[4-(ethoxycarbonyl)iperazin-1-yl]-5-oxopentanoic Acid
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| Structure |
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| Formula |
C28H36N4O7
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| Molecular Weight |
540.617
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| Canonical SMILES |
CCCCOc1cc(nc(c1)-c1ccccc1)C(=O)N[C@@H](CCC(O)=O)C(=O)N1CCN(CC1)C(=O)OCC
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| InChI |
InChI=1S/C28H36N4O7/c1-3-5-17-39-21-18-23(20-9-7-6-8-10-20)29-24(19-21)26(35)30-22(11-12-25(33)34)27(36)31-13-15-32(16-14-31)28(37)38-4-2/h6-10,18-19,22H,3-5,11-17H2,1-2H3,(H,30,35)(H,33,34)/t22-/m0/s1
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| InChIKey |
XYCNJYRQADKXOA-QFIPXVFZSA-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