General Information of the Compound
| Compound ID |
CP0518988
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| Compound Name |
(S)-4-(4-(4-((ethylamino)methyl)piperidin-1-yl)-6-phenylpicolinamido)-5-oxo-5-(4-(pentyloxycarbonyl)piperazin-1-yl)pentanoic acid
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| Structure |
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| Formula |
C35H50N6O6
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| Molecular Weight |
650.821
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| Canonical SMILES |
CCCCCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(cc(n1)-c1ccccc1)N1CCC(CNCC)CC1
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| InChI |
InChI=1S/C35H50N6O6/c1-3-5-9-22-47-35(46)41-20-18-40(19-21-41)34(45)29(12-13-32(42)43)38-33(44)31-24-28(23-30(37-31)27-10-7-6-8-11-27)39-16-14-26(15-17-39)25-36-4-2/h6-8,10-11,23-24,26,29,36H,3-5,9,12-22,25H2,1-2H3,(H,38,44)(H,42,43)/t29-/m0/s1
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| InChIKey |
PCBHSBVCAWKRQU-LJAQVGFWSA-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