General Information of the Compound
| Compound ID |
CP0372596
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| Compound Name |
9-(2-Isopropoxy-ethyl)-8-(3,4,5-trimethoxy-benzyl)-9H-purin-6-ylamine
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| Structure |
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| Formula |
C20H27N5O4
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| Molecular Weight |
401.467
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| Canonical SMILES |
COc1cc(Cc2nc3c(N)ncnc3n2CCOC(C)C)cc(OC)c1OC
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| InChI |
InChI=1S/C20H27N5O4/c1-12(2)29-7-6-25-16(24-17-19(21)22-11-23-20(17)25)10-13-8-14(26-3)18(28-5)15(9-13)27-4/h8-9,11-12H,6-7,10H2,1-5H3,(H2,21,22,23)
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| InChIKey |
IZHAPGIQLJJHSW-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