General Information of the Compound
| Compound ID |
CP0289084
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| Compound Name |
8-(2-chlorophenyl)-9-(4-chlorophenyl)-6-(piperidin-1-yl)-9H-purine
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| Structure |
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| Formula |
C22H19Cl2N5
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| Molecular Weight |
424.335
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| Canonical SMILES |
Clc1ccc(cc1)-n1c(nc2c(ncnc12)N1CCCCC1)-c1ccccc1Cl
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| InChI |
InChI=1S/C22H19Cl2N5/c23-15-8-10-16(11-9-15)29-20(17-6-2-3-7-18(17)24)27-19-21(25-14-26-22(19)29)28-12-4-1-5-13-28/h2-3,6-11,14H,1,4-5,12-13H2
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| InChIKey |
FUJXLLMAGNFIBI-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