General Information of the Compound
| Compound ID |
CP0477120
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| Compound Name |
US10028961, Compound 337
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| Structure |
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| Formula |
C20H16F5N9
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| Molecular Weight |
477.401
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| Canonical SMILES |
C[C@H](Nc1nc(Nc2ccnc(c2)C2(CC2)C#N)nc(n1)-c1cncc(n1)C(F)F)C(F)(F)F
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| InChI |
InChI=1S/C20H16F5N9/c1-10(20(23,24)25)29-17-32-16(13-8-27-7-12(31-13)15(21)22)33-18(34-17)30-11-2-5-28-14(6-11)19(9-26)3-4-19/h2,5-8,10,15H,3-4H2,1H3,(H2,28,29,30,32,33,34)/t10-/m0/s1
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| InChIKey |
XRIMCXRSOOURPD-JTQLQIEISA-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