General Information of the Compound
| Compound ID |
CP0560859
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| Compound Name |
3-cyano-N-[2-(4-fluorophenyl)ethyl]-N-[[(2S)-5-oxopyrrolidin-2-yl]methyl]benzenesulfonamide
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| Structure |
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| Formula |
C20H20FN3O3S
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| Molecular Weight |
401.463
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| Canonical SMILES |
Fc1ccc(CCN(C[C@@H]2CCC(=O)N2)S(=O)(=O)c2cccc(c2)C#N)cc1
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| InChI |
InChI=1S/C20H20FN3O3S/c21-17-6-4-15(5-7-17)10-11-24(14-18-8-9-20(25)23-18)28(26,27)19-3-1-2-16(12-19)13-22/h1-7,12,18H,8-11,14H2,(H,23,25)/t18-/m0/s1
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| InChIKey |
MXMQQNBBFTZXDR-SFHVURJKSA-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