General Information of the Compound
| Compound ID |
CP0489576
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| Compound Name |
1-[1-[8-(2-chlorophenyl)-9-(4-chlorophenyl)purin-6-yl]piperidin-4-yl]-3-(2-fluorophenyl)urea
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| Structure |
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| Formula |
C29H24Cl2FN7O
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| Molecular Weight |
576.463
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| Canonical SMILES |
Fc1ccccc1NC(=O)NC1CCN(CC1)c1ncnc2n(c(nc12)-c1ccccc1Cl)-c1ccc(Cl)cc1
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| InChI |
InChI=1S/C29H24Cl2FN7O/c30-18-9-11-20(12-10-18)39-26(21-5-1-2-6-22(21)31)37-25-27(33-17-34-28(25)39)38-15-13-19(14-16-38)35-29(40)36-24-8-4-3-7-23(24)32/h1-12,17,19H,13-16H2,(H2,35,36,40)
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| InChIKey |
SZCHRMFBGGBWMN-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