General Information of the Compound
| Compound ID |
CP0946992
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| Compound Name |
N-[(4R)-8-chloro-7-fluoro-2,2-dimethyl-3,4-dihydro-2H-chromen-4-yl]-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropanecarboxamide
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| Structure |
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| Formula |
C22H19ClF3NO4
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| Molecular Weight |
453.844
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| Canonical SMILES |
CC1(C)C[C@@H](NC(=O)C2(c3ccc4c(c3)OC(F)(F)O4)CC2)c2ccc(F)c(Cl)c2O1
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| InChI |
InChI=1S/C22H19ClF3NO4/c1-20(2)10-14(12-4-5-13(24)17(23)18(12)31-20)27-19(28)21(7-8-21)11-3-6-15-16(9-11)30-22(25,26)29-15/h3-6,9,14H,7-8,10H2,1-2H3,(H,27,28)/t14-/m1/s1
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| InChIKey |
OFOBYRCVWRMUBR-CQSZACIVSA-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