General Information of the Compound
| Compound ID |
CP0144318
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| Compound Name |
(S)-2-chloro-4-((1-(ethylsulfonyl)pyrrolidin-3-yl)(2-(trifluoromethyl)benzyl)amino)benzonitrile
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| Structure |
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| Formula |
C21H21ClF3N3O2S
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| Molecular Weight |
471.932
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| Canonical SMILES |
CCS(=O)(=O)N1CC[C@@H](C1)N(Cc1ccccc1C(F)(F)F)c1ccc(C#N)c(Cl)c1
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| InChI |
InChI=1S/C21H21ClF3N3O2S/c1-2-31(29,30)27-10-9-18(14-27)28(17-8-7-15(12-26)20(22)11-17)13-16-5-3-4-6-19(16)21(23,24)25/h3-8,11,18H,2,9-10,13-14H2,1H3/t18-/m0/s1
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| InChIKey |
GIRSNKRRSYXJKZ-SFHVURJKSA-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