General Information of the Compound
| Compound ID |
CP0410301
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| Compound Name |
1-[1-[5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methylpyrazole-3-carbonyl]-4-phenylpiperidin-4-yl]-3-[4-(dimethylamino)phenyl]urea
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| Structure |
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| Formula |
C37H35Cl3N6O2
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| Molecular Weight |
702.086
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| Canonical SMILES |
CN(C)c1ccc(NC(=O)NC2(CCN(CC2)C(=O)c2nn(c(c2C)-c2ccc(Cl)cc2)-c2ccc(Cl)cc2Cl)c2ccccc2)cc1
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| InChI |
InChI=1S/C37H35Cl3N6O2/c1-24-33(43-46(32-18-13-28(39)23-31(32)40)34(24)25-9-11-27(38)12-10-25)35(47)45-21-19-37(20-22-45,26-7-5-4-6-8-26)42-36(48)41-29-14-16-30(17-15-29)44(2)3/h4-18,23H,19-22H2,1-3H3,(H2,41,42,48)
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| InChIKey |
ZMISFODKGOSBNR-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