General Information of the Compound
| Compound ID |
CP0025153
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| Compound Name |
(2R)-2-[(6-anilino-9-propylpurin-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 |
CCCn1cnc2c(Nc3ccccc3)nc(N[C@H](CC)CO)nc12
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| InChI |
InChI=1S/C18H24N6O/c1-3-10-24-12-19-15-16(20-14-8-6-5-7-9-14)22-18(23-17(15)24)21-13(4-2)11-25/h5-9,12-13,25H,3-4,10-11H2,1-2H3,(H2,20,21,22,23)/t13-/m1/s1
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| InChIKey |
WXGAMNRTIDTWHG-CYBMUJFWSA-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