General Information of the Compound
Compound ID |
CP0372424
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Compound Name |
N-tert-butyl-4-[(4-chlorophenyl)-(2-methylphenyl)methyl]piperazine-1-carboxamide
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Structure |
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Formula |
C23H30ClN3O
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Molecular Weight |
399.966
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Canonical SMILES |
Cc1ccccc1C(N1CCN(CC1)C(=O)NC(C)(C)C)c1ccc(Cl)cc1
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InChI |
InChI=1S/C23H30ClN3O/c1-17-7-5-6-8-20(17)21(18-9-11-19(24)12-10-18)26-13-15-27(16-14-26)22(28)25-23(2,3)4/h5-12,21H,13-16H2,1-4H3,(H,25,28)
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InChIKey |
XMHRIFZRYCUJAT-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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ChEMBL ID |
Map of Molecular Bioactivity Related to the Compound
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