General Information of the Compound
| Compound ID |
CP0520480
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| Compound Name |
(4S)5-[4-(Ethoxycarbonyl)piperazin-1-yl]-5-oxo-4-{[(6-phenylpyridin-2-yl)carbonyl]amino}pentanoicAcid
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| Structure |
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| Formula |
C24H28N4O6
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| Molecular Weight |
468.51
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| Canonical SMILES |
CCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cccc(n1)-c1ccccc1
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| InChI |
InChI=1S/C24H28N4O6/c1-2-34-24(33)28-15-13-27(14-16-28)23(32)20(11-12-21(29)30)26-22(31)19-10-6-9-18(25-19)17-7-4-3-5-8-17/h3-10,20H,2,11-16H2,1H3,(H,26,31)(H,29,30)/t20-/m0/s1
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| InChIKey |
XAVBSEZQKRGRGO-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