General Information of the Compound
| Compound ID |
CP0416807
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| Compound Name |
8-(2-chlorophenyl)-9-(4-chlorophenyl)-6-[4-[(1,5-dimethylpyrazol-4-yl)methyl]piperazin-1-yl]purine
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| Structure |
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| Formula |
C27H26Cl2N8
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| Molecular Weight |
533.467
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| Canonical SMILES |
Cc1c(CN2CCN(CC2)c2ncnc3n(c(nc23)-c2ccccc2Cl)-c2ccc(Cl)cc2)cnn1C
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| InChI |
InChI=1S/C27H26Cl2N8/c1-18-19(15-32-34(18)2)16-35-11-13-36(14-12-35)26-24-27(31-17-30-26)37(21-9-7-20(28)8-10-21)25(33-24)22-5-3-4-6-23(22)29/h3-10,15,17H,11-14,16H2,1-2H3
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| InChIKey |
QZXRMKVPQUZKFS-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
Protein ID: PT01298, Cannabinoid receptor 1
Protein ID: PT00834, Cannabinoid receptor 2