General Information of the Compound
| Compound ID |
CP0016232
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| Compound Name |
(2R)-2-[[9-methyl-6-(pyridin-3-ylmethylamino)purin-2-yl]amino]butan-1-ol
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| Structure |
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| Formula |
C16H21N7O
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| Molecular Weight |
327.392
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| Canonical SMILES |
CC[C@H](CO)Nc1nc(NCc2cccnc2)c2ncn(C)c2n1
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| InChI |
InChI=1S/C16H21N7O/c1-3-12(9-24)20-16-21-14(13-15(22-16)23(2)10-19-13)18-8-11-5-4-6-17-7-11/h4-7,10,12,24H,3,8-9H2,1-2H3,(H2,18,20,21,22)/t12-/m1/s1
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| InChIKey |
OAEIXFAHSCLGRA-GFCCVEGCSA-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