General Information of the Compound
| Compound ID |
CP0063060
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| Compound Name |
N-[(1R,2S)-1-(2-bromo-4-cyanophenoxy)-1-(2-cyclopropylpyrimidin-5-yl)propan-2-yl]-2,2-difluoropropanamide
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| Structure |
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| Formula |
C20H19BrF2N4O2
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| Molecular Weight |
465.298
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| Canonical SMILES |
C[C@H](NC(=O)C(C)(F)F)[C@H](Oc1ccc(cc1Br)C#N)c1cnc(nc1)C1CC1
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| InChI |
InChI=1S/C20H19BrF2N4O2/c1-11(27-19(28)20(2,22)23)17(14-9-25-18(26-10-14)13-4-5-13)29-16-6-3-12(8-24)7-15(16)21/h3,6-7,9-11,13,17H,4-5H2,1-2H3,(H,27,28)/t11-,17-/m0/s1
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| InChIKey |
LQEPRVHNDMBUPF-GTNSWQLSSA-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