General Information of the Compound
| Compound ID |
CP0470048
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| Compound Name |
US8754075, 31
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| Structure |
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| Formula |
C16H16F2N4O2
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| Molecular Weight |
334.326
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| Canonical SMILES |
C[C@@]1(N=C(N)OC[C@@H]1F)c1cc(NC(=O)C2(CC2)C#N)ccc1F
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| InChI |
InChI=1S/C16H16F2N4O2/c1-15(12(18)7-24-14(20)22-15)10-6-9(2-3-11(10)17)21-13(23)16(8-19)4-5-16/h2-3,6,12H,4-5,7H2,1H3,(H2,20,22)(H,21,23)/t12-,15+/m0/s1
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| InChIKey |
YZJJJWWJXVAYMP-SWLSCSKDSA-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