General Information of the Compound
| Compound ID |
CP0151287
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| Compound Name |
(S)-2-chloro-4-((1-(isobutylsulfonyl)pyrrolidin-3-yl)(2-(trifluoromethyl)benzyl)amino)benzonitrile
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| Structure |
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| Formula |
C23H25ClF3N3O2S
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| Molecular Weight |
499.986
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| Canonical SMILES |
CC(C)CS(=O)(=O)N1CC[C@@H](C1)N(Cc1ccccc1C(F)(F)F)c1ccc(C#N)c(Cl)c1
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| InChI |
InChI=1S/C23H25ClF3N3O2S/c1-16(2)15-33(31,32)29-10-9-20(14-29)30(19-8-7-17(12-28)22(24)11-19)13-18-5-3-4-6-21(18)23(25,26)27/h3-8,11,16,20H,9-10,13-15H2,1-2H3/t20-/m0/s1
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| InChIKey |
DPXITRVBJLQXDO-FQEVSTJZSA-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