General Information of the Compound
| Compound ID |
CP0534876
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| Compound Name |
tert-butyl N-[2-[2-[3-[[4-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)bicyclo[2.2.2]octane-1-carbonyl]amino]propylamino]-2-oxoethoxy]ethyl]carbamate
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| Structure |
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| Formula |
C32H51N7O7
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| Molecular Weight |
645.802
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| Canonical SMILES |
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C12CCC(CC1)(CC2)C(=O)NCCCNC(=O)COCCNC(=O)OC(C)(C)C
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| InChI |
InChI=1S/C32H51N7O7/c1-6-18-38-24-23(25(41)39(19-7-2)29(38)44)36-26(37-24)31-9-12-32(13-10-31,14-11-31)27(42)34-16-8-15-33-22(40)21-45-20-17-35-28(43)46-30(3,4)5/h6-21H2,1-5H3,(H,33,40)(H,34,42)(H,35,43)(H,36,37)
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| InChIKey |
CVDBVNDBKBUGQZ-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