General Information of the Compound
| Compound ID |
CP0529851
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| Compound Name |
(S)-4-(6-(4-morpholinopiperidin-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(CC1)N1CCOCC1
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| InChI |
InChI=1S/C35H49N7O7/c1-2-3-7-22-49-35(47)42-18-16-41(17-19-42)34(46)28(10-11-31(43)44)37-33(45)29-25-30(38-32(36-29)26-8-5-4-6-9-26)40-14-12-27(13-15-40)39-20-23-48-24-21-39/h4-6,8-9,25,27-28H,2-3,7,10-24H2,1H3,(H,37,45)(H,43,44)/t28-/m0/s1
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| InChIKey |
YAMLVDXZRGDJAN-NDEPHWFRSA-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