General Information of the Compound
| Compound ID |
CP0535473
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| Compound Name |
1-[1-[8-(2-chlorophenyl)-9-(4-chlorophenyl)purin-6-yl]-4-methylpiperidin-4-yl]-3-[6-(difluoromethoxy)pyridin-3-yl]urea
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| Structure |
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| Formula |
C30H26Cl2F2N8O2
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| Molecular Weight |
639.494
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| Canonical SMILES |
CC1(CCN(CC1)c1ncnc2n(c(nc12)-c1ccccc1Cl)-c1ccc(Cl)cc1)NC(=O)Nc1ccc(OC(F)F)nc1
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| InChI |
InChI=1S/C30H26Cl2F2N8O2/c1-30(40-29(43)38-19-8-11-23(35-16-19)44-28(33)34)12-14-41(15-13-30)26-24-27(37-17-36-26)42(20-9-6-18(31)7-10-20)25(39-24)21-4-2-3-5-22(21)32/h2-11,16-17,28H,12-15H2,1H3,(H2,38,40,43)
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| InChIKey |
HCGRGZGOYPDRKW-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