General Information of the Compound
| Compound ID |
CP0410196
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| Compound Name |
1-[1-[5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methylpyrazole-3-carbonyl]-4-phenylpiperidin-4-yl]-3-propylurea
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| Structure |
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| Formula |
C32H32Cl3N5O2
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| Molecular Weight |
625
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| Canonical SMILES |
CCCNC(=O)NC1(CCN(CC1)C(=O)c1nn(c(c1C)-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)c1ccccc1
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| InChI |
InChI=1S/C32H32Cl3N5O2/c1-3-17-36-31(42)37-32(23-7-5-4-6-8-23)15-18-39(19-16-32)30(41)28-21(2)29(22-9-11-24(33)12-10-22)40(38-28)27-14-13-25(34)20-26(27)35/h4-14,20H,3,15-19H2,1-2H3,(H2,36,37,42)
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| InChIKey |
RLHQKQWKXVSGCI-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