General Information of the Compound
| Compound ID |
CP0016234
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| Compound Name |
(2R)-2-[[6-(benzylamino)-9-methylpurin-2-yl]amino]butan-1-ol
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| Structure |
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| Formula |
C17H22N6O
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| Molecular Weight |
326.404
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| Canonical SMILES |
CC[C@H](CO)Nc1nc(NCc2ccccc2)c2ncn(C)c2n1
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| InChI |
InChI=1S/C17H22N6O/c1-3-13(10-24)20-17-21-15(14-16(22-17)23(2)11-19-14)18-9-12-7-5-4-6-8-12/h4-8,11,13,24H,3,9-10H2,1-2H3,(H2,18,20,21,22)/t13-/m1/s1
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| InChIKey |
JZNKOXKLAMPREP-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