General Information of the Compound
| Compound ID |
CP0447778
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| Compound Name |
N-butyl-4-[[5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methylpyrazole-3-carbonyl]amino]piperidine-1-carboxamide
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| Structure |
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| Formula |
C27H30Cl3N5O2
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| Molecular Weight |
562.929
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| Canonical SMILES |
CCCCNC(=O)N1CCC(CC1)NC(=O)c1nn(c(c1C)-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl
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| InChI |
InChI=1S/C27H30Cl3N5O2/c1-3-4-13-31-27(37)34-14-11-21(12-15-34)32-26(36)24-17(2)25(18-5-7-19(28)8-6-18)35(33-24)23-10-9-20(29)16-22(23)30/h5-10,16,21H,3-4,11-15H2,1-2H3,(H,31,37)(H,32,36)
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| InChIKey |
MWFFFBODZBCIIJ-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