General Information of the Compound
| Compound ID |
CP0405316
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| Compound Name |
7-(2,4-dichlorobenzyl)-N-(5-(diethylamino)pentan-2-yl)-7H-purin-2-amine
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| Structure |
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| Formula |
C21H28Cl2N6
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| Molecular Weight |
435.403
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| Canonical SMILES |
CCN(CC)CCCC(C)Nc1ncc2n(Cc3ccc(Cl)cc3Cl)cnc2n1
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| InChI |
InChI=1S/C21H28Cl2N6/c1-4-28(5-2)10-6-7-15(3)26-21-24-12-19-20(27-21)25-14-29(19)13-16-8-9-17(22)11-18(16)23/h8-9,11-12,14-15H,4-7,10,13H2,1-3H3,(H,24,26,27)
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| InChIKey |
ORMOKIUSNFANPO-UHFFFAOYSA-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