General Information of the Compound
| Compound ID |
CP0578721
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| Compound Name |
tert-butyl N-[2-[2-[2-[2-[3-[4-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)-1-bicyclo[2.2.2]octanyl]propanoylamino]ethylamino]-2-oxoethoxy]ethoxy]ethyl]carbamate
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| Structure |
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| Formula |
C35H57N7O8
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| Molecular Weight |
703.882
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| Canonical SMILES |
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C12CCC(CCC(=O)NCCNC(=O)COCCOCCNC(=O)OC(C)(C)C)(CC1)CC2
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| InChI |
InChI=1S/C35H57N7O8/c1-6-19-41-28-27(29(45)42(20-7-2)32(41)47)39-30(40-28)35-13-10-34(11-14-35,12-15-35)9-8-25(43)36-16-17-37-26(44)24-49-23-22-48-21-18-38-31(46)50-33(3,4)5/h6-24H2,1-5H3,(H,36,43)(H,37,44)(H,38,46)(H,39,40)
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| InChIKey |
XBHWSIALCLVKKT-UHFFFAOYSA-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