General Information of the Compound
| Compound ID |
CP0431691
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| Compound Name |
1-[1-[8-(2-chlorophenyl)-9-(4-chlorophenyl)purin-6-yl]-4-methylpiperidin-4-yl]-3-(2,4-difluorophenyl)urea
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| Structure |
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| Formula |
C30H25Cl2F2N7O
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| Molecular Weight |
608.48
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| Canonical SMILES |
CC1(CCN(CC1)c1ncnc2n(c(nc12)-c1ccccc1Cl)-c1ccc(Cl)cc1)NC(=O)Nc1ccc(F)cc1F
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| InChI |
InChI=1S/C30H25Cl2F2N7O/c1-30(39-29(42)37-24-11-8-19(33)16-23(24)34)12-14-40(15-13-30)27-25-28(36-17-35-27)41(20-9-6-18(31)7-10-20)26(38-25)21-4-2-3-5-22(21)32/h2-11,16-17H,12-15H2,1H3,(H2,37,39,42)
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| InChIKey |
SESZOGCFUSUHFB-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