General Information of the Compound
| Compound ID |
CP0539980
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| Compound Name |
US9163011, 9
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| Structure |
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| Formula |
C16H12Cl2F3N5O2
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| Molecular Weight |
434.205
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| Canonical SMILES |
C[C@@]1(N=C(N)OCC1(F)F)c1nc(NC(=O)c2ncc(Cl)cc2Cl)ccc1F
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| InChI |
InChI=1S/C16H12Cl2F3N5O2/c1-15(16(20,21)6-28-14(22)26-15)12-9(19)2-3-10(24-12)25-13(27)11-8(18)4-7(17)5-23-11/h2-5H,6H2,1H3,(H2,22,26)(H,24,25,27)/t15-/m1/s1
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| InChIKey |
CGFNKFZCIRBOAD-OAHLLOKOSA-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