General Information of the Compound
| Compound ID |
CP0437612
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| Compound Name |
1-[1-[5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methylpyrazole-3-carbonyl]-4-phenylpiperidin-4-yl]-3-cyclohexylurea
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| Structure |
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| Formula |
C35H36Cl3N5O2
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| Molecular Weight |
665.065
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| Canonical SMILES |
Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(=O)N1CCC(CC1)(NC(=O)NC1CCCCC1)c1ccccc1
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| InChI |
InChI=1S/C35H36Cl3N5O2/c1-23-31(41-43(30-17-16-27(37)22-29(30)38)32(23)24-12-14-26(36)15-13-24)33(44)42-20-18-35(19-21-42,25-8-4-2-5-9-25)40-34(45)39-28-10-6-3-7-11-28/h2,4-5,8-9,12-17,22,28H,3,6-7,10-11,18-21H2,1H3,(H2,39,40,45)
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| InChIKey |
IMJWGDSFRDJYJI-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