General Information of the Compound
| Compound ID |
CP0439750
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| Compound Name |
(4S)5-Oxo-5-{4-[(pentyloxy)carbonyl]piperazin-1-yl}-4-{[(6-phenylpyridin-2-yl)carbonyl]amino}pentanoic Acid
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| Structure |
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| Formula |
C27H34N4O6
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| Molecular Weight |
510.591
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| Canonical SMILES |
CCCCCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cccc(n1)-c1ccccc1
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| InChI |
InChI=1S/C27H34N4O6/c1-2-3-7-19-37-27(36)31-17-15-30(16-18-31)26(35)23(13-14-24(32)33)29-25(34)22-12-8-11-21(28-22)20-9-5-4-6-10-20/h4-6,8-12,23H,2-3,7,13-19H2,1H3,(H,29,34)(H,32,33)/t23-/m0/s1
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| InChIKey |
MPJAXPQVSZDRED-QHCPKHFHSA-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