General Information of the Compound
| Compound ID |
CP0390145
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| Compound Name |
N-(dicyclopropylmethyl)-2,8-dimethyl-9-(4-methylsulfonylphenyl)purin-6-amine
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| Structure |
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| Formula |
C21H25N5O2S
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| Molecular Weight |
411.531
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| Canonical SMILES |
Cc1nc2c(NC(C3CC3)C3CC3)nc(C)nc2n1-c1ccc(cc1)S(C)(=O)=O
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| InChI |
InChI=1S/C21H25N5O2S/c1-12-22-20(25-18(14-4-5-14)15-6-7-15)19-21(23-12)26(13(2)24-19)16-8-10-17(11-9-16)29(3,27)28/h8-11,14-15,18H,4-7H2,1-3H3,(H,22,23,25)
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| InChIKey |
DEDMWAVNOQESDX-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