General Information of the Compound
| Compound ID |
CP0322043
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| Compound Name |
US9163008, 35
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| Structure |
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| Formula |
C20H17FN4O4
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| Molecular Weight |
396.378
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| Canonical SMILES |
C[C@H](Nc1cc(nc(n1)-c1ccc(Oc2ccc(F)cc2)cc1)C(O)=O)C(N)=O
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| InChI |
InChI=1S/C20H17FN4O4/c1-11(18(22)26)23-17-10-16(20(27)28)24-19(25-17)12-2-6-14(7-3-12)29-15-8-4-13(21)5-9-15/h2-11H,1H3,(H2,22,26)(H,27,28)(H,23,24,25)/t11-/m0/s1
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| InChIKey |
VJUBVEWWBBYLEZ-NSHDSACASA-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