General Information of the Compound
| Compound ID |
CP0311741
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| Compound Name |
(S)-3'-chloro-4'-(4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenylsulfonyl)biphenyl-4-carbonitrile
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| Structure |
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| Formula |
C22H15ClF3NO3S
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| Molecular Weight |
465.88
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| Canonical SMILES |
C[C@](O)(c1ccc(cc1)S(=O)(=O)c1ccc(cc1Cl)-c1ccc(cc1)C#N)C(F)(F)F
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| InChI |
InChI=1S/C22H15ClF3NO3S/c1-21(28,22(24,25)26)17-7-9-18(10-8-17)31(29,30)20-11-6-16(12-19(20)23)15-4-2-14(13-27)3-5-15/h2-12,28H,1H3/t21-/m0/s1
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| InChIKey |
ZRLKRSYZYKQTQB-NRFANRHFSA-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