General Information of the Compound
| Compound ID |
CP0440945
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| Compound Name |
6-butyl-7-(2-chlorophenyl)-4-methylpurino[7,8-a]imidazole-1,3-dione
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| Structure |
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| Formula |
C18H18ClN5O2
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| Molecular Weight |
371.828
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| Canonical SMILES |
CCCCn1c(cn2c1nc1n(C)c(=O)[nH]c(=O)c21)-c1ccccc1Cl
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| InChI |
InChI=1S/C18H18ClN5O2/c1-3-4-9-23-13(11-7-5-6-8-12(11)19)10-24-14-15(20-17(23)24)22(2)18(26)21-16(14)25/h5-8,10H,3-4,9H2,1-2H3,(H,21,25,26)
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| InChIKey |
BTQRVKVBNPVBAC-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