General Information of the Compound
| Compound ID |
CP0577619
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| Compound Name |
(5R,11S)-N-(3-cyano-4-fluorophenyl)-11-fluoro-5,13-dimethyl-14-oxo-4,8,9,13-tetrazatricyclo[7.5.0.02,7]tetradeca-1,7-diene-4-carboxamide
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| Structure |
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| Formula |
C20H20F2N6O2
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| Molecular Weight |
414.416
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| Canonical SMILES |
C[C@@H]1Cc2nn3C[C@@H](F)CN(C)C(=O)c3c2CN1C(=O)Nc1ccc(F)c(c1)C#N
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| InChI |
InChI=1S/C20H20F2N6O2/c1-11-5-17-15(18-19(29)26(2)8-13(21)9-28(18)25-17)10-27(11)20(30)24-14-3-4-16(22)12(6-14)7-23/h3-4,6,11,13H,5,8-10H2,1-2H3,(H,24,30)/t11-,13+/m1/s1
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| InChIKey |
OYXAJFWHWOWREF-YPMHNXCESA-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