General Information of the Compound
| Compound ID |
CP0096192
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| Compound Name |
(S)-2-chloro-4-((2-fluorobenzyl)(1-(methylsulfonyl)pyrrolidin-3-yl)amino)benzonitrile
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| Structure |
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| Formula |
C19H19ClFN3O2S
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| Molecular Weight |
407.898
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| Canonical SMILES |
CS(=O)(=O)N1CC[C@@H](C1)N(Cc1ccccc1F)c1ccc(C#N)c(Cl)c1
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| InChI |
InChI=1S/C19H19ClFN3O2S/c1-27(25,26)23-9-8-17(13-23)24(12-15-4-2-3-5-19(15)21)16-7-6-14(11-22)18(20)10-16/h2-7,10,17H,8-9,12-13H2,1H3/t17-/m0/s1
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| InChIKey |
WWMZDVNNRCLYSM-KRWDZBQOSA-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