General Information of the Compound
| Compound ID |
CP0416548
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| Compound Name |
4-[8-(2-chlorophenyl)-9-(4-chlorophenyl)purin-6-yl]-N-pyridin-2-ylpiperazine-1-carboxamide
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| Structure |
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| Formula |
C27H22Cl2N8O
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| Molecular Weight |
545.434
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| Canonical SMILES |
Clc1ccc(cc1)-n1c(nc2c(ncnc12)N1CCN(CC1)C(=O)Nc1ccccn1)-c1ccccc1Cl
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| InChI |
InChI=1S/C27H22Cl2N8O/c28-18-8-10-19(11-9-18)37-24(20-5-1-2-6-21(20)29)34-23-25(31-17-32-26(23)37)35-13-15-36(16-14-35)27(38)33-22-7-3-4-12-30-22/h1-12,17H,13-16H2,(H,30,33,38)
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| InChIKey |
FLDMTNMBEOEUAH-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