General Information of the Compound
| Compound ID |
CP0445565
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| Compound Name |
3-chloro-N-[(4-fluorophenyl)methyl]-N-[[(2S)-5-oxopyrrolidin-2-yl]methyl]benzenesulfonamide
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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(CN(C[C@@H]2CCC(=O)N2)S(=O)(=O)c2cccc(Cl)c2)cc1
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| InChI |
InChI=1S/C18H18ClFN2O3S/c19-14-2-1-3-17(10-14)26(24,25)22(12-16-8-9-18(23)21-16)11-13-4-6-15(20)7-5-13/h1-7,10,16H,8-9,11-12H2,(H,21,23)/t16-/m0/s1
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| InChIKey |
ZRKHTEJYISNKOY-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