General Information of the Compound
| Compound ID |
CP0444204
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| Compound Name |
(4-amino-4-phenylpiperidin-1-yl)-[5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methylpyrazol-3-yl]methanone
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| Structure |
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| Formula |
C28H25Cl3N4O
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| Molecular Weight |
539.894
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| Canonical SMILES |
Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(=O)N1CCC(N)(CC1)c1ccccc1
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| InChI |
InChI=1S/C28H25Cl3N4O/c1-18-25(27(36)34-15-13-28(32,14-16-34)20-5-3-2-4-6-20)33-35(24-12-11-22(30)17-23(24)31)26(18)19-7-9-21(29)10-8-19/h2-12,17H,13-16,32H2,1H3
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| InChIKey |
GGAOQZJBOLXKMT-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