General Information of the Compound
| Compound ID |
CP0568787
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| Compound Name |
N-[3-[5-(2-aminopyrimidin-4-yl)-2-tert-butyl-1,3-thiazol-4-yl]-5-chloro-2-fluorophenyl]-2,5-difluorobenzenesulfonamide
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| Structure |
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| Formula |
C23H19ClF3N5O2S2
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| Molecular Weight |
554.019
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| Canonical SMILES |
CC(C)(C)c1nc(c(s1)-c1ccnc(N)n1)-c1cc(Cl)cc(NS(=O)(=O)c2cc(F)ccc2F)c1F
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| InChI |
InChI=1S/C23H19ClF3N5O2S2/c1-23(2,3)21-31-19(20(35-21)15-6-7-29-22(28)30-15)13-8-11(24)9-16(18(13)27)32-36(33,34)17-10-12(25)4-5-14(17)26/h4-10,32H,1-3H3,(H2,28,29,30)
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| InChIKey |
XSCPRDRGAAQQDB-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