General Information of the Compound
| Compound ID |
CP0493582
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| Compound Name |
(R)-N-(1-(5-(5-chloro-3-fluoro-2-(2-methyl-2H-tetrazol-5-yl)phenyl)-3-fluoropyridin-2-yl)ethyl)-4-hydroxytetrahydro-2H-pyran-4-carboxamide
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| Structure |
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| Formula |
C21H21ClF2N6O3
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| Molecular Weight |
478.887
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| Canonical SMILES |
C[C@@H](NC(=O)C1(O)CCOCC1)c1ncc(cc1F)-c1cc(Cl)cc(F)c1-c1nnn(C)n1
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| InChI |
InChI=1S/C21H21ClF2N6O3/c1-11(26-20(31)21(32)3-5-33-6-4-21)18-16(24)7-12(10-25-18)14-8-13(22)9-15(23)17(14)19-27-29-30(2)28-19/h7-11,32H,3-6H2,1-2H3,(H,26,31)/t11-/m1/s1
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| InChIKey |
LWKVMTCIFZPFNU-LLVKDONJSA-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