General Information of the Compound
| Compound ID |
CP0446119
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| Compound Name |
N-[(1R,2S)-1-(3-chloro-4-cyanophenoxy)-1-(6-methoxypyridin-3-yl)propan-2-yl]-2,2-difluoropropanamide
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| Structure |
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| Formula |
C19H18ClF2N3O3
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| Molecular Weight |
409.82
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| Canonical SMILES |
COc1ccc(cn1)[C@@H](Oc1ccc(C#N)c(Cl)c1)[C@H](C)NC(=O)C(C)(F)F
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| InChI |
InChI=1S/C19H18ClF2N3O3/c1-11(25-18(26)19(2,21)22)17(13-5-7-16(27-3)24-10-13)28-14-6-4-12(9-23)15(20)8-14/h4-8,10-11,17H,1-3H3,(H,25,26)/t11-,17-/m0/s1
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| InChIKey |
ADTCHDOIIJGUKX-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