General Information of the Compound
| Compound ID |
CP0535227
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| Compound Name |
(S)-4-(6-(4-(2-(ethylamino)-2-oxoethyl)piperidin-1-yl)-2-phenylpyrimidine-4-carboxamido)-5-oxo-5-(4-(pentyloxycarbonyl)piperazin-1-yl)pentanoic acid
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| Structure |
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| Formula |
C35H49N7O7
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| Molecular Weight |
679.819
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| Canonical SMILES |
CCCCCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(nc(n1)-c1ccccc1)N1CCC(CC(=O)NCC)CC1
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| InChI |
InChI=1S/C35H49N7O7/c1-3-5-9-22-49-35(48)42-20-18-41(19-21-42)34(47)27(12-13-31(44)45)38-33(46)28-24-29(39-32(37-28)26-10-7-6-8-11-26)40-16-14-25(15-17-40)23-30(43)36-4-2/h6-8,10-11,24-25,27H,3-5,9,12-23H2,1-2H3,(H,36,43)(H,38,46)(H,44,45)/t27-/m0/s1
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| InChIKey |
KNAFSCAQXWZIFH-MHZLTWQESA-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