General Information of the Compound
| Compound ID |
CP0571908
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| Compound Name |
US10035794, Example 44
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| Structure |
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| Formula |
C18H16F7N7O2
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| Molecular Weight |
495.359
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| Canonical SMILES |
C[C@]1(CO[C@](C)(C(N)=N1)C(F)(F)F)c1nc(NC(=O)c2ncc(nc2N)C(F)(F)F)ccc1F
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| InChI |
InChI=1S/C18H16F7N7O2/c1-15(6-34-16(2,14(27)32-15)18(23,24)25)11-7(19)3-4-9(30-11)31-13(33)10-12(26)29-8(5-28-10)17(20,21)22/h3-5H,6H2,1-2H3,(H2,26,29)(H2,27,32)(H,30,31,33)/t15-,16+/m0/s1
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| InChIKey |
HUQALVJHHCENTE-JKSUJKDBSA-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