General Information of the Compound
| Compound ID |
CP0011908
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| Compound Name |
4-[[2-(azetidin-1-ylmethyl)-6-fluorophenyl]methylamino]-5-chloro-2-fluoro-N-(1,3-thiazol-4-yl)benzenesulfonamide
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| Structure |
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| Formula |
C20H19ClF2N4O2S2
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| Molecular Weight |
484.981
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| Canonical SMILES |
Fc1cccc(CN2CCC2)c1CNc1cc(F)c(cc1Cl)S(=O)(=O)Nc1cscn1
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| InChI |
InChI=1S/C20H19ClF2N4O2S2/c21-15-7-19(31(28,29)26-20-11-30-12-25-20)17(23)8-18(15)24-9-14-13(3-1-4-16(14)22)10-27-5-2-6-27/h1,3-4,7-8,11-12,24,26H,2,5-6,9-10H2
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| InChIKey |
ZKBINYGXHLBBGG-UHFFFAOYSA-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