General Information of the Compound
| Compound ID |
CP0570393
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| Compound Name |
tert-butyl N-[2-[2-[2-[3-[[4-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)bicyclo[2.2.2]octane-1-carbonyl]amino]propanoylamino]ethylamino]-2-oxoethoxy]ethyl]carbamate
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| Structure |
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| Formula |
C34H54N8O8
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| Molecular Weight |
702.854
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| Canonical SMILES |
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C12CCC(CC1)(CC2)C(=O)NCCC(=O)NCCNC(=O)COCCNC(=O)OC(C)(C)C
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| InChI |
InChI=1S/C34H54N8O8/c1-6-19-41-26-25(27(45)42(20-7-2)31(41)48)39-28(40-26)33-9-12-34(13-10-33,14-11-33)29(46)37-15-8-23(43)35-16-17-36-24(44)22-49-21-18-38-30(47)50-32(3,4)5/h6-22H2,1-5H3,(H,35,43)(H,36,44)(H,37,46)(H,38,47)(H,39,40)
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| InChIKey |
MTBOTVVOWOGWPS-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