General Information of the Compound
| Compound ID |
CP0383861
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| Compound Name |
N-[(1R,2S)-1-(2-bromo-4-cyanophenoxy)-1-(2-cyclopropylpyrimidin-5-yl)butan-2-yl]-2,2,2-trifluoroacetamide
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| Structure |
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| Formula |
C20H18BrF3N4O2
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| Molecular Weight |
483.288
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| Canonical SMILES |
CC[C@H](NC(=O)C(F)(F)F)[C@H](Oc1ccc(cc1Br)C#N)c1cnc(nc1)C1CC1
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| InChI |
InChI=1S/C20H18BrF3N4O2/c1-2-15(28-19(29)20(22,23)24)17(13-9-26-18(27-10-13)12-4-5-12)30-16-6-3-11(8-25)7-14(16)21/h3,6-7,9-10,12,15,17H,2,4-5H2,1H3,(H,28,29)/t15-,17+/m0/s1
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| InChIKey |
XGORDNAQWNGCSW-DOTOQJQBSA-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