General Information of the Compound
| Compound ID |
CP0522880
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| Compound Name |
6-amino-2-(butylamino)-9-[[6-[3-(dimethylamino)pyrrolidin-1-yl]pyridin-3-yl]methyl]-7H-purin-8-one
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| Structure |
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| Formula |
C21H31N9O
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| Molecular Weight |
425.541
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| Canonical SMILES |
CCCCNc1nc(N)c2[nH]c(=O)n(Cc3ccc(nc3)N3CCC(C3)N(C)C)c2n1
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| InChI |
InChI=1S/C21H31N9O/c1-4-5-9-23-20-26-18(22)17-19(27-20)30(21(31)25-17)12-14-6-7-16(24-11-14)29-10-8-15(13-29)28(2)3/h6-7,11,15H,4-5,8-10,12-13H2,1-3H3,(H,25,31)(H3,22,23,26,27)
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| InChIKey |
CBHXWFSOBALHGF-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