General Information of the Compound
| Compound ID |
CP0888402
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| Compound Name |
1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[(4R)-7-fluoro-2,2-bis(fluoromethyl)-3,4-dihydro-2H-chromen-4-yl]cyclopropanecarboxamide
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| Structure |
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| Formula |
C22H18F5NO4
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| Molecular Weight |
455.379
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| Canonical SMILES |
O=C(N[C@@H]1CC(CF)(CF)Oc2cc(F)ccc21)C1(c2ccc3c(c2)OC(F)(F)O3)CC1
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| InChI |
InChI=1S/C22H18F5NO4/c23-10-20(11-24)9-15(14-3-2-13(25)8-17(14)30-20)28-19(29)21(5-6-21)12-1-4-16-18(7-12)32-22(26,27)31-16/h1-4,7-8,15H,5-6,9-11H2,(H,28,29)/t15-/m1/s1
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| InChIKey |
ILIVMFBUBOLGDH-OAHLLOKOSA-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