General Information of the Compound
| Compound ID |
CP0543974
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| Compound Name |
tert-butyl N-[3-[[3-[2-[3-[4-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)-1-bicyclo[2.2.2]octanyl]propanoylamino]ethylamino]-3-oxopropyl]amino]-3-oxopropyl]carbamate
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| Structure |
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| Formula |
C35H56N8O7
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| Molecular Weight |
700.882
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| Canonical SMILES |
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C12CCC(CCC(=O)NCCNC(=O)CCNC(=O)CCNC(=O)OC(C)(C)C)(CC1)CC2
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| InChI |
InChI=1S/C35H56N8O7/c1-6-22-42-28-27(29(47)43(23-7-2)32(42)49)40-30(41-28)35-15-12-34(13-16-35,14-17-35)11-8-24(44)37-20-21-38-26(46)9-18-36-25(45)10-19-39-31(48)50-33(3,4)5/h6-23H2,1-5H3,(H,36,45)(H,37,44)(H,38,46)(H,39,48)(H,40,41)
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| InChIKey |
WXLOJRYGSIFGCS-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