General Information of the Compound
| Compound ID |
CP0134020
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| Compound Name |
(3S)-N-[2,4-difluoro-3-[[3-(7H-purin-6-yl)pyridin-2-yl]amino]phenyl]-3-hydroxypyrrolidine-1-sulfonamide
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| Structure |
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| Formula |
C20H18F2N8O3S
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| Molecular Weight |
488.48
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| Canonical SMILES |
O[C@H]1CCN(C1)S(=O)(=O)Nc1ccc(F)c(Nc2ncccc2-c2ncnc3[nH]cnc23)c1F
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| InChI |
InChI=1S/C20H18F2N8O3S/c21-13-3-4-14(29-34(32,33)30-7-5-11(31)8-30)15(22)17(13)28-19-12(2-1-6-23-19)16-18-20(26-9-24-16)27-10-25-18/h1-4,6,9-11,29,31H,5,7-8H2,(H,23,28)(H,24,25,26,27)/t11-/m0/s1
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| InChIKey |
ZHQDXUJBHCRZBE-NSHDSACASA-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