General Information of the Compound
| Compound ID |
CP0519412
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| Compound Name |
(2S)-N-[(4-chlorophenyl)methyl]-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide
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| Structure |
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| Formula |
C18H18ClFN2O3S
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| Molecular Weight |
396.871
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| Canonical SMILES |
Fc1ccc(cc1)S(=O)(=O)N1CCC[C@H]1C(=O)NCc1ccc(Cl)cc1
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| InChI |
InChI=1S/C18H18ClFN2O3S/c19-14-5-3-13(4-6-14)12-21-18(23)17-2-1-11-22(17)26(24,25)16-9-7-15(20)8-10-16/h3-10,17H,1-2,11-12H2,(H,21,23)/t17-/m0/s1
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| InChIKey |
KHCMGMZHKZFVBB-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