General Information of the Compound
| Compound ID |
CP0563206
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| Compound Name |
US9242943, 33
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| Structure |
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| Formula |
C14H15FN4O2
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| Molecular Weight |
290.298
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| Canonical SMILES |
C[C@]1(COCC(N)=N1)c1cc(Nc2ccon2)ccc1F
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| InChI |
InChI=1S/C14H15FN4O2/c1-14(8-20-7-12(16)18-14)10-6-9(2-3-11(10)15)17-13-4-5-21-19-13/h2-6H,7-8H2,1H3,(H2,16,18)(H,17,19)/t14-/m0/s1
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| InChIKey |
QRXTWNWAFMAMIP-AWEZNQCLSA-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