General Information of the Compound
| Compound ID |
CP0281562
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| Compound Name |
(S)-2-chloro-4-((1-(propylsulfonyl)pyrrolidin-3-yl)(2-(trifluoromethyl)benzyl)amino)benzonitrile
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| Structure |
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| Formula |
C22H23ClF3N3O2S
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| Molecular Weight |
485.959
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| Canonical SMILES |
CCCS(=O)(=O)N1CC[C@@H](C1)N(Cc1ccccc1C(F)(F)F)c1ccc(C#N)c(Cl)c1
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| InChI |
InChI=1S/C22H23ClF3N3O2S/c1-2-11-32(30,31)28-10-9-19(15-28)29(18-8-7-16(13-27)21(23)12-18)14-17-5-3-4-6-20(17)22(24,25)26/h3-8,12,19H,2,9-11,14-15H2,1H3/t19-/m0/s1
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| InChIKey |
YFCOZFVKDGNSQY-IBGZPJMESA-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