General Information of the Compound
| Compound ID |
CP0158209
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| Compound Name |
N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-3-(4-methylphenyl)-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
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| Structure |
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| Formula |
C29H27F3N4O4S
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| Molecular Weight |
584.62
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| Canonical SMILES |
Cc1ccc(cc1)-c1nn(cc1C(=O)Nc1ccc(C)c(c1)S(=O)(=O)N1CCOCC1)-c1cccc(c1)C(F)(F)F
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| InChI |
InChI=1S/C29H27F3N4O4S/c1-19-6-9-21(10-7-19)27-25(18-36(34-27)24-5-3-4-22(16-24)29(30,31)32)28(37)33-23-11-8-20(2)26(17-23)41(38,39)35-12-14-40-15-13-35/h3-11,16-18H,12-15H2,1-2H3,(H,33,37)
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| InChIKey |
PUULBQMPZNFFRX-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