General Information of the Compound
| Compound ID |
CP0943692
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| Compound Name |
triethylamine 4'-sulfamoyl-5-(4-(4-(trifluoromethyl)phenyl)-1H-1,2,3-triazol-1-yl)biphenyl-3-carboxylate
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| Structure |
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| Formula |
C28H30F3N5O4S
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| Molecular Weight |
589.64
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| Canonical SMILES |
CCN(CC)CC.NS(=O)(=O)c1ccc(-c2cc(C(=O)O)cc(-n3cc(-c4ccc(C(F)(F)F)cc4)nn3)c2)cc1
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| InChI |
InChI=1S/C22H15F3N4O4S.C6H15N/c23-22(24,25)17-5-1-14(2-6-17)20-12-29(28-27-20)18-10-15(9-16(11-18)21(30)31)13-3-7-19(8-4-13)34(26,32)33;1-4-7(5-2)6-3/h1-12H,(H,30,31)(H2,26,32,33);4-6H2,1-3H3
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| InChIKey |
YGOLLOGCRNGFQR-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: PT01200, Delta-type opioid receptor
Protein ID: PT05434, P2Y purinoceptor 14