General Information of the Compound
| Compound ID |
CP0503126
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| Compound Name |
N-(azepan-1-yl)-5-(5-bromothiophen-2-yl)-1-(2,4-dichlorophenyl)-4-methylpyrazole-3-carboxamide
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| Structure |
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| Formula |
C21H21BrCl2N4OS
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| Molecular Weight |
528.303
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| Canonical SMILES |
Cc1c(nn(c1-c1ccc(Br)s1)-c1ccc(Cl)cc1Cl)C(=O)NN1CCCCCC1
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| InChI |
InChI=1S/C21H21BrCl2N4OS/c1-13-19(21(29)26-27-10-4-2-3-5-11-27)25-28(16-7-6-14(23)12-15(16)24)20(13)17-8-9-18(22)30-17/h6-9,12H,2-5,10-11H2,1H3,(H,26,29)
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| InChIKey |
XKHUPGMHSOHXQD-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