General Information of the Compound
| Compound ID |
CP0513937
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| Compound Name |
(4S)5-[4-(Ethoxycarbonyl)piperazin-1-yl]-4-{[(4-hydroxy-6-phenylpyridin-2-yl)carbonyl]amino}-5-oxopentanoic Acid
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| Structure |
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| Formula |
C24H28N4O7
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| Molecular Weight |
484.509
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| Canonical SMILES |
CCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(O)cc(n1)-c1ccccc1
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| InChI |
InChI=1S/C24H28N4O7/c1-2-35-24(34)28-12-10-27(11-13-28)23(33)18(8-9-21(30)31)26-22(32)20-15-17(29)14-19(25-20)16-6-4-3-5-7-16/h3-7,14-15,18H,2,8-13H2,1H3,(H,25,29)(H,26,32)(H,30,31)/t18-/m0/s1
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| InChIKey |
MDLGOQYRFXDQJY-SFHVURJKSA-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