General Information of the Compound
| Compound ID |
CP0431692
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| Compound Name |
3-[1-[8-(2-chlorophenyl)-9-(4-chlorophenyl)purin-6-yl]piperidin-4-yl]-1-propyl-1-(2,2,2-trifluoroethyl)urea
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| Structure |
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| Formula |
C28H28Cl2F3N7O
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| Molecular Weight |
606.48
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| Canonical SMILES |
CCCN(CC(F)(F)F)C(=O)NC1CCN(CC1)c1ncnc2n(c(nc12)-c1ccccc1Cl)-c1ccc(Cl)cc1
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| InChI |
InChI=1S/C28H28Cl2F3N7O/c1-2-13-39(16-28(31,32)33)27(41)36-19-11-14-38(15-12-19)25-23-26(35-17-34-25)40(20-9-7-18(29)8-10-20)24(37-23)21-5-3-4-6-22(21)30/h3-10,17,19H,2,11-16H2,1H3,(H,36,41)
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| InChIKey |
YRVURRFQHGWEBQ-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