General Information of the Compound
| Compound ID |
CP0201477
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| Compound Name |
(S)-2-chloro-4-((1-methyl-5-oxopyrrolidin-3-yl)(2-(trifluoromethyl)benzyl)amino)benzonitrile
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| Structure |
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| Formula |
C20H17ClF3N3O
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| Molecular Weight |
407.823
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| Canonical SMILES |
CN1C[C@H](CC1=O)N(Cc1ccccc1C(F)(F)F)c1ccc(C#N)c(Cl)c1
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| InChI |
InChI=1S/C20H17ClF3N3O/c1-26-12-16(9-19(26)28)27(15-7-6-13(10-25)18(21)8-15)11-14-4-2-3-5-17(14)20(22,23)24/h2-8,16H,9,11-12H2,1H3/t16-/m0/s1
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| InChIKey |
POBFSUUYISWJLD-INIZCTEOSA-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