General Information of the Compound
| Compound ID |
CP0886005
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| Compound Name |
N-(5-(5-(2-aminopyrimidin-4-yl)-2-isopropylthiazol-4-yl)-2-fluorophenyl)-3-fluorobenzenesulfonamide
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| Structure |
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| Formula |
C22H19F2N5O2S2
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| Molecular Weight |
487.557
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| Canonical SMILES |
CC(C)c1nc(-c2ccc(F)c(NS(=O)(=O)c3cccc(F)c3)c2)c(-c2ccnc(N)n2)s1
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| InChI |
InChI=1S/C22H19F2N5O2S2/c1-12(2)21-28-19(20(32-21)17-8-9-26-22(25)27-17)13-6-7-16(24)18(10-13)29-33(30,31)15-5-3-4-14(23)11-15/h3-12,29H,1-2H3,(H2,25,26,27)
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| InChIKey |
LXGNBVGGANYYMU-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