General Information of the Compound
| Compound ID |
CP0571108
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| Compound Name |
2-[2-chloro-7-[(4-chlorophenyl)methyl]-6-morpholin-4-yl-8-oxopurin-9-yl]-N-(4-chlorophenyl)acetamide
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| Structure |
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| Formula |
C24H21Cl3N6O3
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| Molecular Weight |
547.83
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| Canonical SMILES |
Clc1ccc(Cn2c3c(nc(Cl)nc3n(CC(=O)Nc3ccc(Cl)cc3)c2=O)N2CCOCC2)cc1
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| InChI |
InChI=1S/C24H21Cl3N6O3/c25-16-3-1-15(2-4-16)13-32-20-21(31-9-11-36-12-10-31)29-23(27)30-22(20)33(24(32)35)14-19(34)28-18-7-5-17(26)6-8-18/h1-8H,9-14H2,(H,28,34)
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| InChIKey |
ZKPPECAMJDRQNC-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