General Information of the Compound
| Compound ID |
CP0444202
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| Compound Name |
1-butyl-3-[1-[5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methylpyrazole-3-carbonyl]-4-phenylpiperidin-4-yl]urea
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| Structure |
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| Formula |
C33H34Cl3N5O2
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| Molecular Weight |
639.027
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| Canonical SMILES |
CCCCNC(=O)NC1(CCN(CC1)C(=O)c1nn(c(c1C)-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)c1ccccc1
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| InChI |
InChI=1S/C33H34Cl3N5O2/c1-3-4-18-37-32(43)38-33(24-8-6-5-7-9-24)16-19-40(20-17-33)31(42)29-22(2)30(23-10-12-25(34)13-11-23)41(39-29)28-15-14-26(35)21-27(28)36/h5-15,21H,3-4,16-20H2,1-2H3,(H2,37,38,43)
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| InChIKey |
JCPZZONKEINJSI-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