General Information of the Compound
| Compound ID |
CP0013039
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| Compound Name |
4-[[(1S)-1-(5-cyano-2-fluorophenyl)ethyl]amino]-2,6-difluoro-N-(1,3-thiazol-4-yl)benzenesulfonamide
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| Structure |
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| Formula |
C18H13F3N4O2S2
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| Molecular Weight |
438.456
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| Canonical SMILES |
C[C@H](Nc1cc(F)c(c(F)c1)S(=O)(=O)Nc1cscn1)c1cc(ccc1F)C#N
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| InChI |
InChI=1S/C18H13F3N4O2S2/c1-10(13-4-11(7-22)2-3-14(13)19)24-12-5-15(20)18(16(21)6-12)29(26,27)25-17-8-28-9-23-17/h2-6,8-10,24-25H,1H3/t10-/m0/s1
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| InChIKey |
MULKIBHRPCRKGZ-JTQLQIEISA-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