General Information of the Compound
| Compound ID |
CP0017346
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| Compound Name |
(2R)-2-[[9-propan-2-yl-6-(pyridin-3-ylmethylamino)purin-2-yl]amino]butan-1-ol
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| Structure |
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| Formula |
C18H25N7O
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| Molecular Weight |
355.446
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| Canonical SMILES |
CC[C@H](CO)Nc1nc(NCc2cccnc2)c2ncn(C(C)C)c2n1
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| InChI |
InChI=1S/C18H25N7O/c1-4-14(10-26)22-18-23-16(20-9-13-6-5-7-19-8-13)15-17(24-18)25(11-21-15)12(2)3/h5-8,11-12,14,26H,4,9-10H2,1-3H3,(H2,20,22,23,24)/t14-/m1/s1
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| InChIKey |
ITWHOUBMQIJNKR-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