General Information of the Compound
| Compound ID |
CP0272622
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| Compound Name |
N-[4-[4-(4-chlorophenyl)-1,1,1-trifluoro-2-hydroxybut-3-yn-2-yl]phenyl]-3-cyano-N-(2-methylpropyl)benzenesulfonamide
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| Structure |
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| Formula |
C27H22ClF3N2O3S
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| Molecular Weight |
546.998
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| Canonical SMILES |
CC(C)CN(c1ccc(cc1)C(O)(C#Cc1ccc(Cl)cc1)C(F)(F)F)S(=O)(=O)c1cccc(c1)C#N
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| InChI |
InChI=1S/C27H22ClF3N2O3S/c1-19(2)18-33(37(35,36)25-5-3-4-21(16-25)17-32)24-12-8-22(9-13-24)26(34,27(29,30)31)15-14-20-6-10-23(28)11-7-20/h3-13,16,19,34H,18H2,1-2H3
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| InChIKey |
DFDDEXIVIDCBJU-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