General Information of the Compound
| Compound ID |
CP0466294
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| Compound Name |
[4-[8-(2-chlorophenyl)-9-(4-chlorophenyl)purin-6-yl]piperazin-1-yl]-(2,3-dihydro-1,4-benzodioxin-3-yl)methanone
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| Structure |
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| Formula |
C30H24Cl2N6O3
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| Molecular Weight |
587.467
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| Canonical SMILES |
Clc1ccc(cc1)-n1c(nc2c(ncnc12)N1CCN(CC1)C(=O)C1COc2ccccc2O1)-c1ccccc1Cl
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| InChI |
InChI=1S/C30H24Cl2N6O3/c31-19-9-11-20(12-10-19)38-27(21-5-1-2-6-22(21)32)35-26-28(33-18-34-29(26)38)36-13-15-37(16-14-36)30(39)25-17-40-23-7-3-4-8-24(23)41-25/h1-12,18,25H,13-17H2
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| InChIKey |
HEAJSGYRYVJZOJ-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