General Information of the Compound
| Compound ID |
CP0570784
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| Compound Name |
N-[(3R)-1-[9-(3,4-dimethoxyphenyl)-2,8-dimethylpurin-6-yl]pyrrolidin-3-yl]acetamide
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| Structure |
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| Formula |
C21H26N6O3
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| Molecular Weight |
410.478
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| Canonical SMILES |
COc1ccc(cc1OC)-n1c(C)nc2c(nc(C)nc12)N1CC[C@H](C1)NC(C)=O
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| InChI |
InChI=1S/C21H26N6O3/c1-12-22-20(26-9-8-15(11-26)25-14(3)28)19-21(23-12)27(13(2)24-19)16-6-7-17(29-4)18(10-16)30-5/h6-7,10,15H,8-9,11H2,1-5H3,(H,25,28)/t15-/m1/s1
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| InChIKey |
XNYQNCIJADWXFA-OAHLLOKOSA-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