General Information of the Compound
| Compound ID |
CP0551654
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| Compound Name |
3-cyano-N-[[(2S)-1-ethyl-5-oxopyrrolidin-2-yl]methyl]-N-[(4-fluorophenyl)methyl]benzenesulfonamide
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| Structure |
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| Formula |
C21H22FN3O3S
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| Molecular Weight |
415.49
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| Canonical SMILES |
CCN1[C@H](CN(Cc2ccc(F)cc2)S(=O)(=O)c2cccc(c2)C#N)CCC1=O
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| InChI |
InChI=1S/C21H22FN3O3S/c1-2-25-19(10-11-21(25)26)15-24(14-16-6-8-18(22)9-7-16)29(27,28)20-5-3-4-17(12-20)13-23/h3-9,12,19H,2,10-11,14-15H2,1H3/t19-/m0/s1
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| InChIKey |
ZKFMDZYNXFFEJW-IBGZPJMESA-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