General Information of the Compound
| Compound ID |
CP0412596
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| Compound Name |
2-[4-[8-(2-chlorophenyl)-9-(4-chlorophenyl)purin-6-yl]piperazin-1-yl]-2-phenylacetonitrile
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| Structure |
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| Formula |
C29H23Cl2N7
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| Molecular Weight |
540.458
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| Canonical SMILES |
Clc1ccc(cc1)-n1c(nc2c(ncnc12)N1CCN(CC1)C(C#N)c1ccccc1)-c1ccccc1Cl
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| InChI |
InChI=1S/C29H23Cl2N7/c30-21-10-12-22(13-11-21)38-27(23-8-4-5-9-24(23)31)35-26-28(33-19-34-29(26)38)37-16-14-36(15-17-37)25(18-32)20-6-2-1-3-7-20/h1-13,19,25H,14-17H2
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| InChIKey |
YTPMRJNGYNSJAS-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