General Information of the Compound
| Compound ID |
CP0474039
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| Compound Name |
tert-butyl 4-[[5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methylpyrazole-3-carbonyl]amino]piperidine-1-carboxylate
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| Structure |
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| Formula |
C27H29Cl3N4O3
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| Molecular Weight |
563.913
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| Canonical SMILES |
Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(=O)NC1CCN(CC1)C(=O)OC(C)(C)C
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| InChI |
InChI=1S/C27H29Cl3N4O3/c1-16-23(25(35)31-20-11-13-33(14-12-20)26(36)37-27(2,3)4)32-34(22-10-9-19(29)15-21(22)30)24(16)17-5-7-18(28)8-6-17/h5-10,15,20H,11-14H2,1-4H3,(H,31,35)
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| InChIKey |
BCTWRAPWASCHFM-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