General Information of the Compound
| Compound ID |
CP0030458
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| Compound Name |
(2R)-2-[(6-anilino-9-methylpurin-2-yl)amino]butan-1-ol
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| Structure |
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| Formula |
C16H20N6O
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| Molecular Weight |
312.377
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| Canonical SMILES |
CC[C@H](CO)Nc1nc(Nc2ccccc2)c2ncn(C)c2n1
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| InChI |
InChI=1S/C16H20N6O/c1-3-11(9-23)19-16-20-14(18-12-7-5-4-6-8-12)13-15(21-16)22(2)10-17-13/h4-8,10-11,23H,3,9H2,1-2H3,(H2,18,19,20,21)/t11-/m1/s1
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| InChIKey |
DOSMNDVLJYSLSX-LLVKDONJSA-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