General Information of the Compound
| Compound ID |
CP0428940
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| Compound Name |
tert-butyl N-[1-[5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methylpyrazole-3-carbonyl]-4-phenylpiperidin-4-yl]carbamate
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| Structure |
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| Formula |
C33H33Cl3N4O3
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| Molecular Weight |
640.011
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| Canonical SMILES |
Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(=O)N1CCC(CC1)(NC(=O)OC(C)(C)C)c1ccccc1
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| InChI |
InChI=1S/C33H33Cl3N4O3/c1-21-28(38-40(27-15-14-25(35)20-26(27)36)29(21)22-10-12-24(34)13-11-22)30(41)39-18-16-33(17-19-39,23-8-6-5-7-9-23)37-31(42)43-32(2,3)4/h5-15,20H,16-19H2,1-4H3,(H,37,42)
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| InChIKey |
IFFMOLDJKZHPFJ-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