General Information of the Compound
| Compound ID |
CP0022075
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| Compound Name |
(2R)-2-[[6-(benzhydrylamino)-9-propylpurin-2-yl]amino]butan-1-ol
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| Structure |
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| Formula |
C25H30N6O
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| Molecular Weight |
430.556
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| Canonical SMILES |
CCCn1cnc2c(NC(c3ccccc3)c3ccccc3)nc(N[C@H](CC)CO)nc12
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| InChI |
InChI=1S/C25H30N6O/c1-3-15-31-17-26-22-23(29-25(30-24(22)31)27-20(4-2)16-32)28-21(18-11-7-5-8-12-18)19-13-9-6-10-14-19/h5-14,17,20-21,32H,3-4,15-16H2,1-2H3,(H2,27,28,29,30)/t20-/m1/s1
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| InChIKey |
LECODPVGGAGDDA-HXUWFJFHSA-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