General Information of the Compound
| Compound ID |
CP0489634
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| Compound Name |
(4S)5-[4-(Ethoxycarbonyl)piperazin-1-yl]-4-[({4-[4-(methoxymethyl)piperidin-1-yl]-6-phenylpyridin-2-yl}carbonyl)amino]-5-oxopentanoic Acid
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| Structure |
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| Formula |
C31H41N5O7
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| Molecular Weight |
595.697
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| Canonical SMILES |
CCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(cc(n1)-c1ccccc1)N1CCC(COC)CC1
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| InChI |
InChI=1S/C31H41N5O7/c1-3-43-31(41)36-17-15-35(16-18-36)30(40)25(9-10-28(37)38)33-29(39)27-20-24(34-13-11-22(12-14-34)21-42-2)19-26(32-27)23-7-5-4-6-8-23/h4-8,19-20,22,25H,3,9-18,21H2,1-2H3,(H,33,39)(H,37,38)/t25-/m0/s1
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| InChIKey |
GCFNWXIWUPLMFX-VWLOTQADSA-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