General Information of the Compound
| Compound ID |
CP0577380
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| Compound Name |
N-[3-[5-(2-aminopyrimidin-4-yl)-2-piperazin-2-yl-1,3-thiazol-4-yl]-2-fluorophenyl]-2,5-difluorobenzenesulfonamide
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| Structure |
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| Formula |
C23H20F3N7O2S2
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| Molecular Weight |
547.588
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| Canonical SMILES |
Nc1nccc(n1)-c1sc(nc1-c1cccc(NS(=O)(=O)c2cc(F)ccc2F)c1F)C1CNCCN1
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| InChI |
InChI=1S/C23H20F3N7O2S2/c24-12-4-5-14(25)18(10-12)37(34,35)33-15-3-1-2-13(19(15)26)20-21(16-6-7-30-23(27)31-16)36-22(32-20)17-11-28-8-9-29-17/h1-7,10,17,28-29,33H,8-9,11H2,(H2,27,30,31)
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| InChIKey |
AOVBCSSRPQUKKW-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