General Information of the Compound
| Compound ID |
CP0535141
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| Compound Name |
N-tert-butyl-4-[(4-chlorophenyl)-(2,3-dichlorophenyl)methyl]piperazine-1-carboxamide
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| Structure |
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| Formula |
C22H26Cl3N3O
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| Molecular Weight |
454.829
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| Canonical SMILES |
CC(C)(C)NC(=O)N1CCN(CC1)C(c1ccc(Cl)cc1)c1cccc(Cl)c1Cl
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| InChI |
InChI=1S/C22H26Cl3N3O/c1-22(2,3)26-21(29)28-13-11-27(12-14-28)20(15-7-9-16(23)10-8-15)17-5-4-6-18(24)19(17)25/h4-10,20H,11-14H2,1-3H3,(H,26,29)
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| InChIKey |
NXPWZFZLLPAIPA-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