General Information of the Compound
| Compound ID |
CP0022074
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| Compound Name |
(2R)-2-[[9-methyl-6-(2-phenylethylamino)purin-2-yl]amino]butan-1-ol
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| Structure |
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| Formula |
C18H24N6O
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| Molecular Weight |
340.431
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| Canonical SMILES |
CC[C@H](CO)Nc1nc(NCCc2ccccc2)c2ncn(C)c2n1
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| InChI |
InChI=1S/C18H24N6O/c1-3-14(11-25)21-18-22-16(15-17(23-18)24(2)12-20-15)19-10-9-13-7-5-4-6-8-13/h4-8,12,14,25H,3,9-11H2,1-2H3,(H2,19,21,22,23)/t14-/m1/s1
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| InChIKey |
FBSFQUUYFDTSST-CQSZACIVSA-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