General Information of the Compound
| Compound ID |
CP0427726
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| Compound Name |
2-[3-fluoro-4-(methanesulfonamido)phenyl]-N-[[2-(3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl)-6-(trifluoromethyl)pyridin-3-yl]methyl]propanamide
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| Structure |
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| Formula |
C30H31F4N5O4S
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| Molecular Weight |
633.668
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| Canonical SMILES |
CC(C(=O)NCc1ccc(nc1N1CCC2(CC(=NO2)c2ccccc2)CC1)C(F)(F)F)c1ccc(NS(C)(=O)=O)c(F)c1
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| InChI |
InChI=1S/C30H31F4N5O4S/c1-19(21-8-10-24(23(31)16-21)38-44(2,41)42)28(40)35-18-22-9-11-26(30(32,33)34)36-27(22)39-14-12-29(13-15-39)17-25(37-43-29)20-6-4-3-5-7-20/h3-11,16,19,38H,12-15,17-18H2,1-2H3,(H,35,40)
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| InChIKey |
UANGGHZFFAEILO-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