General Information of the Compound
| Compound ID |
CP0577799
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| Compound Name |
tert-butyl N-[3-[[3-[2-[[4-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)bicyclo[2.2.2]octane-1-carbonyl]amino]ethylamino]-3-oxopropyl]amino]-3-oxopropyl]carbamate
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| Structure |
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| Formula |
C33H52N8O7
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| Molecular Weight |
672.828
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| Canonical SMILES |
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C12CCC(CC1)(CC2)C(=O)NCCNC(=O)CCNC(=O)CCNC(=O)OC(C)(C)C
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| InChI |
InChI=1S/C33H52N8O7/c1-6-20-40-25-24(26(44)41(21-7-2)30(40)47)38-27(39-25)32-10-13-33(14-11-32,15-12-32)28(45)36-19-18-35-23(43)8-16-34-22(42)9-17-37-29(46)48-31(3,4)5/h6-21H2,1-5H3,(H,34,42)(H,35,43)(H,36,45)(H,37,46)(H,38,39)
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| InChIKey |
YLXNOFPSWMFFHY-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