General Information of the Compound
| Compound ID |
CP0514343
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| Compound Name |
(4S)5-{4-[(2-Methoxyethoxy)carbonyl]piperazin-1-yl}-5-oxo-4-{[(6-phenylpyridin-2-yl)carbonyl]amino}pentanoic Acid
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| Structure |
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| Formula |
C25H30N4O7
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| Molecular Weight |
498.536
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| Canonical SMILES |
COCCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cccc(n1)-c1ccccc1
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| InChI |
InChI=1S/C25H30N4O7/c1-35-16-17-36-25(34)29-14-12-28(13-15-29)24(33)21(10-11-22(30)31)27-23(32)20-9-5-8-19(26-20)18-6-3-2-4-7-18/h2-9,21H,10-17H2,1H3,(H,27,32)(H,30,31)/t21-/m0/s1
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| InChIKey |
MDKZDQKJJIYCCT-NRFANRHFSA-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