General Information of the Compound
| Compound ID |
CP0538374
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| Compound Name |
N-[(4-fluorophenyl)methyl]-3-methoxy-N-[[(2S)-5-oxopyrrolidin-2-yl]methyl]benzenesulfonamide
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| Structure |
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| Formula |
C19H21FN2O4S
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| Molecular Weight |
392.452
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| Canonical SMILES |
COc1cccc(c1)S(=O)(=O)N(C[C@@H]1CCC(=O)N1)Cc1ccc(F)cc1
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| InChI |
InChI=1S/C19H21FN2O4S/c1-26-17-3-2-4-18(11-17)27(24,25)22(13-16-9-10-19(23)21-16)12-14-5-7-15(20)8-6-14/h2-8,11,16H,9-10,12-13H2,1H3,(H,21,23)/t16-/m0/s1
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| InChIKey |
LSUQMKATOZOVDX-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