General Information of the Compound
| Compound ID |
CP0189076
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| Compound Name |
(S)-5-oxo-5-(4-(pentyloxycarbonyl)piperazin-1-yl)-4-(2-phenyl-6-(4-(pyrrolidin-1-ylmethyl)piperidin-1-yl)pyrimidine-4-carboxamido)pentanoic acid
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| Structure |
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| Formula |
C36H51N7O6
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| Molecular Weight |
677.847
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| Canonical SMILES |
CCCCCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(nc(n1)-c1ccccc1)N1CCC(CN2CCCC2)CC1
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| InChI |
InChI=1S/C36H51N7O6/c1-2-3-9-24-49-36(48)43-22-20-42(21-23-43)35(47)29(12-13-32(44)45)38-34(46)30-25-31(39-33(37-30)28-10-5-4-6-11-28)41-18-14-27(15-19-41)26-40-16-7-8-17-40/h4-6,10-11,25,27,29H,2-3,7-9,12-24,26H2,1H3,(H,38,46)(H,44,45)/t29-/m0/s1
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| InChIKey |
NIUQYBATAMSSIJ-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