General Information of the Compound
| Compound ID |
CP0421989
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| Compound Name |
(S)-5-oxo-5-(4-(pentyloxycarbonyl)piperazin-1-yl)-4-(6-phenyl-4-(4-(pyrrolidine-1-carbonyl)piperazin-1-yl)picolinamido)pentanoic acid
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| Structure |
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| Formula |
C36H49N7O7
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| Molecular Weight |
691.83
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| Canonical SMILES |
CCCCCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(cc(n1)-c1ccccc1)N1CCN(CC1)C(=O)N1CCCC1
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| InChI |
InChI=1S/C36H49N7O7/c1-2-3-9-24-50-36(49)43-22-18-40(19-23-43)34(47)29(12-13-32(44)45)38-33(46)31-26-28(25-30(37-31)27-10-5-4-6-11-27)39-16-20-42(21-17-39)35(48)41-14-7-8-15-41/h4-6,10-11,25-26,29H,2-3,7-9,12-24H2,1H3,(H,38,46)(H,44,45)/t29-/m0/s1
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| InChIKey |
CWERVTOUFBNKMQ-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