General Information of the Compound
| Compound ID |
CP0062694
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| Compound Name |
US9296734, 177
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| Structure |
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| Formula |
C21H14F6N6O
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| Molecular Weight |
480.372
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| Canonical SMILES |
C[C@]1(C[C@H](OC(N)=N1)C(F)(F)F)c1cc(Nc2ncc(F)c3cc(cnc23)C#N)cc(F)c1F
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| InChI |
InChI=1S/C21H14F6N6O/c1-20(5-15(21(25,26)27)34-19(29)33-20)12-3-10(4-13(22)16(12)24)32-18-17-11(14(23)8-31-18)2-9(6-28)7-30-17/h2-4,7-8,15H,5H2,1H3,(H2,29,33)(H,31,32)/t15-,20-/m0/s1
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| InChIKey |
URUUZKVGBQRBGH-YWZLYKJASA-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