General Information of the Compound
| Compound ID |
CP0572949
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| Compound Name |
3-[4-(5-methyl-3-pyridin-4-yl-1H-pyrazol-4-yl)-2-(trifluoromethyl)phenyl]benzenesulfonamide
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| Structure |
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| Formula |
C22H17F3N4O2S
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| Molecular Weight |
458.465
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| Canonical SMILES |
Cc1[nH]nc(c1-c1ccc(-c2cccc(c2)S(N)(=O)=O)c(c1)C(F)(F)F)-c1ccncc1
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| InChI |
InChI=1S/C22H17F3N4O2S/c1-13-20(21(29-28-13)14-7-9-27-10-8-14)16-5-6-18(19(12-16)22(23,24)25)15-3-2-4-17(11-15)32(26,30)31/h2-12H,1H3,(H,28,29)(H2,26,30,31)
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| InChIKey |
QVWRYNBRCWCJRD-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