General Information of the Compound
| Compound ID |
CP0382776
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| Compound Name |
N-(3-pentyl-1,3-benzothiazol-2-ylidene)-4-(trifluoromethyl)benzamide
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| Formula |
C20H19F3N2OS
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| Molecular Weight |
392.446
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| Canonical SMILES |
CCCCCn1c2ccccc2s\c1=N/C(=O)c1ccc(cc1)C(F)(F)F
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| InChI |
InChI=1S/C20H19F3N2OS/c1-2-3-6-13-25-16-7-4-5-8-17(16)27-19(25)24-18(26)14-9-11-15(12-10-14)20(21,22)23/h4-5,7-12H,2-3,6,13H2,1H3/b24-19-
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| InChIKey |
ZKQOBFAUDJCQMQ-CLCOLTQESA-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