General Information of the Compound
| Compound ID |
CP0472503
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| Compound Name |
[3-amino-5-[4-(trifluoromethyl)phenyl]sulfonylpyridin-2-yl]-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone
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| Structure |
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| Formula |
C18H18F3N3O4S
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| Molecular Weight |
429.42
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| Canonical SMILES |
Nc1cc(cnc1C(=O)N1CCC[C@H]1CO)S(=O)(=O)c1ccc(cc1)C(F)(F)F
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| InChI |
InChI=1S/C18H18F3N3O4S/c19-18(20,21)11-3-5-13(6-4-11)29(27,28)14-8-15(22)16(23-9-14)17(26)24-7-1-2-12(24)10-25/h3-6,8-9,12,25H,1-2,7,10,22H2/t12-/m0/s1
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| InChIKey |
WRISKWZHYBNCLJ-LBPRGKRZSA-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