General Information of the Compound
| Compound ID |
CP0452689
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| Compound Name |
1-[1-[8-(2-chlorophenyl)-9-(4-chlorophenyl)purin-6-yl]piperidin-4-yl]-3-(2,4-difluorophenyl)urea
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| Structure |
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| Formula |
C29H23Cl2F2N7O
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| Molecular Weight |
594.453
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| Canonical SMILES |
Fc1ccc(NC(=O)NC2CCN(CC2)c2ncnc3n(c(nc23)-c2ccccc2Cl)-c2ccc(Cl)cc2)c(F)c1
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| InChI |
InChI=1S/C29H23Cl2F2N7O/c30-17-5-8-20(9-6-17)40-26(21-3-1-2-4-22(21)31)38-25-27(34-16-35-28(25)40)39-13-11-19(12-14-39)36-29(41)37-24-10-7-18(32)15-23(24)33/h1-10,15-16,19H,11-14H2,(H2,36,37,41)
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| InChIKey |
YRDRYSAUCHQOET-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