General Information of the Compound
| Compound ID |
CP0022076
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| Compound Name |
(2R)-2-[[6-(benzylamino)-9-propylpurin-2-yl]amino]butan-1-ol
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| Structure |
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| Formula |
C19H26N6O
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| Molecular Weight |
354.458
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| Canonical SMILES |
CCCn1cnc2c(NCc3ccccc3)nc(N[C@H](CC)CO)nc12
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| InChI |
InChI=1S/C19H26N6O/c1-3-10-25-13-21-16-17(20-11-14-8-6-5-7-9-14)23-19(24-18(16)25)22-15(4-2)12-26/h5-9,13,15,26H,3-4,10-12H2,1-2H3,(H2,20,22,23,24)/t15-/m1/s1
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| InChIKey |
LKXPLOHGQSEPEM-OAHLLOKOSA-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