General Information of the Compound
| Compound ID |
CP0489323
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| Compound Name |
N-[[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-(trifluoromethyl)pyridin-3-yl]methyl]-2-[3-fluoro-4-(methanesulfonamido)phenyl]propanamide
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| Structure |
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| Formula |
C25H23F4N3O5S
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| Molecular Weight |
553.534
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| Canonical SMILES |
CC(C(=O)NCc1ccc(nc1-c1ccc2OCCOc2c1)C(F)(F)F)c1ccc(NS(C)(=O)=O)c(F)c1
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| InChI |
InChI=1S/C25H23F4N3O5S/c1-14(15-3-6-19(18(26)11-15)32-38(2,34)35)24(33)30-13-17-5-8-22(25(27,28)29)31-23(17)16-4-7-20-21(12-16)37-10-9-36-20/h3-8,11-12,14,32H,9-10,13H2,1-2H3,(H,30,33)
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| InChIKey |
OCKHIIBHALEUHI-UHFFFAOYSA-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