General Information of the Compound
| Compound ID |
CP0720646
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| Compound Name |
N-(3-(5-(2-aminopyrimidin-4-yl)-2-tert-butylthiazol-4-yl)phenyl)-2,5-difluorobenzenesulfonamide
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| Structure |
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| Formula |
C23H21F2N5O2S2
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| Molecular Weight |
501.584
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| Canonical SMILES |
CC(C)(C)c1nc(-c2cccc(NS(=O)(=O)c3cc(F)ccc3F)c2)c(-c2ccnc(N)n2)s1
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| InChI |
InChI=1S/C23H21F2N5O2S2/c1-23(2,3)21-29-19(20(33-21)17-9-10-27-22(26)28-17)13-5-4-6-15(11-13)30-34(31,32)18-12-14(24)7-8-16(18)25/h4-12,30H,1-3H3,(H2,26,27,28)
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| InChIKey |
OJPJIMJMERYTNG-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