General Information of the Compound
| Compound ID |
CP0516261
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| Compound Name |
US9163011, 6
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| Structure |
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| Formula |
C19H16ClF6N5O3
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| Molecular Weight |
511.81
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| Canonical SMILES |
COCC[C@@]1(N=C(N)OCC1(F)F)c1nc(NC(=O)c2ncc(cc2Cl)C(F)(F)F)ccc1F
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| InChI |
InChI=1S/C19H16ClF6N5O3/c1-33-5-4-17(18(22,23)8-34-16(27)31-17)14-11(21)2-3-12(29-14)30-15(32)13-10(20)6-9(7-28-13)19(24,25)26/h2-3,6-7H,4-5,8H2,1H3,(H2,27,31)(H,29,30,32)/t17-/m1/s1
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| InChIKey |
WPEMUUFTBABGBW-QGZVFWFLSA-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