General Information of the Compound
| Compound ID |
CP0443781
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| Compound Name |
3-cyano-N-[(4-fluorophenyl)methyl]-N-[[(2R)-5-oxopyrrolidin-2-yl]methyl]benzenesulfonamide
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| Structure |
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| Formula |
C19H18FN3O3S
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| Molecular Weight |
387.436
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| Canonical SMILES |
Fc1ccc(CN(C[C@H]2CCC(=O)N2)S(=O)(=O)c2cccc(c2)C#N)cc1
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| InChI |
InChI=1S/C19H18FN3O3S/c20-16-6-4-14(5-7-16)12-23(13-17-8-9-19(24)22-17)27(25,26)18-3-1-2-15(10-18)11-21/h1-7,10,17H,8-9,12-13H2,(H,22,24)/t17-/m1/s1
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| InChIKey |
QVUBGCKCYFWVIS-QGZVFWFLSA-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