General Information of the Compound
| Compound ID |
CP0570981
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| Compound Name |
N-[[1-[4-cyano-3-(trifluoromethyl)phenyl]pyrazol-3-yl]methyl]-4-fluorobenzenesulfonamide
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| Structure |
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| Formula |
C18H12F4N4O2S
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| Molecular Weight |
424.379
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| Canonical SMILES |
Fc1ccc(cc1)S(=O)(=O)NCc1ccn(n1)-c1ccc(C#N)c(c1)C(F)(F)F
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| InChI |
InChI=1S/C18H12F4N4O2S/c19-13-2-5-16(6-3-13)29(27,28)24-11-14-7-8-26(25-14)15-4-1-12(10-23)17(9-15)18(20,21)22/h1-9,24H,11H2
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| InChIKey |
HMAYKGDULUVKLL-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