General Information of the Compound
| Compound ID |
CP0013040
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| Compound Name |
5-chloro-4-[[2-[(2,2-dimethylazetidin-1-yl)methyl]-6-fluorophenyl]methylamino]-2-fluoro-N-(1,3-thiazol-4-yl)benzenesulfonamide
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| Structure |
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| Formula |
C22H23ClF2N4O2S2
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| Molecular Weight |
513.035
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| Canonical SMILES |
CC1(C)CCN1Cc1cccc(F)c1CNc1cc(F)c(cc1Cl)S(=O)(=O)Nc1cscn1
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| InChI |
InChI=1S/C22H23ClF2N4O2S2/c1-22(2)6-7-29(22)11-14-4-3-5-17(24)15(14)10-26-19-9-18(25)20(8-16(19)23)33(30,31)28-21-12-32-13-27-21/h3-5,8-9,12-13,26,28H,6-7,10-11H2,1-2H3
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| InChIKey |
RGBIVRJIERNIRK-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