General Information of the Compound
| Compound ID |
CP0017347
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| Compound Name |
(2R)-2-[[6-(2-phenylethylamino)-9-propylpurin-2-yl]amino]butan-1-ol
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| Structure |
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| Formula |
C20H28N6O
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| Molecular Weight |
368.485
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| Canonical SMILES |
CCCn1cnc2c(NCCc3ccccc3)nc(N[C@H](CC)CO)nc12
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| InChI |
InChI=1S/C20H28N6O/c1-3-12-26-14-22-17-18(21-11-10-15-8-6-5-7-9-15)24-20(25-19(17)26)23-16(4-2)13-27/h5-9,14,16,27H,3-4,10-13H2,1-2H3,(H2,21,23,24,25)/t16-/m1/s1
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| InChIKey |
OLSPDWKXGBVJIO-MRXNPFEDSA-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