General Information of the Compound
| Compound ID |
CP0544355
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| Compound Name |
US9278960, 4-38
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| Structure |
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| Formula |
C22H22FN3O2
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| Molecular Weight |
379.435
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| Canonical SMILES |
C[C@H]1COCCN1Cc1ccc2c(cc(nc2c1)C(N)=O)-c1ccc(F)cc1
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| InChI |
InChI=1S/C22H22FN3O2/c1-14-13-28-9-8-26(14)12-15-2-7-18-19(16-3-5-17(23)6-4-16)11-21(22(24)27)25-20(18)10-15/h2-7,10-11,14H,8-9,12-13H2,1H3,(H2,24,27)/t14-/m0/s1
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| InChIKey |
NKRUXYILBGTIJT-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