General Information of the Compound
| Compound ID |
CP0484983
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| Compound Name |
9-(2-chloro-4-methoxyphenyl)-N-(dicyclopropylmethyl)-2,8-dimethylpurin-6-amine
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| Structure |
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| Formula |
C21H24ClN5O
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| Molecular Weight |
397.91
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| Canonical SMILES |
COc1ccc(c(Cl)c1)-n1c(C)nc2c(NC(C3CC3)C3CC3)nc(C)nc12
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| InChI |
InChI=1S/C21H24ClN5O/c1-11-23-20(26-18(13-4-5-13)14-6-7-14)19-21(24-11)27(12(2)25-19)17-9-8-15(28-3)10-16(17)22/h8-10,13-14,18H,4-7H2,1-3H3,(H,23,24,26)
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| InChIKey |
IHGWZAGVLDUYIY-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