General Information of the Compound
| Compound ID |
CP0477671
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| Compound Name |
(4S)5-[4-(Ethoxycarbonyl)piperazin-1-yl]-4-{[(4-ethoxy-6-phenylpyridin-2-yl)carbonyl]amino}-5-oxopentanoic Acid
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| Structure |
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| Formula |
C26H32N4O7
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| Molecular Weight |
512.563
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| Canonical SMILES |
CCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(OCC)cc(n1)-c1ccccc1
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| InChI |
InChI=1S/C26H32N4O7/c1-3-36-19-16-21(18-8-6-5-7-9-18)27-22(17-19)24(33)28-20(10-11-23(31)32)25(34)29-12-14-30(15-13-29)26(35)37-4-2/h5-9,16-17,20H,3-4,10-15H2,1-2H3,(H,28,33)(H,31,32)/t20-/m0/s1
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| InChIKey |
UNGIRSVYGZKGFN-FQEVSTJZSA-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