General Information of the Compound
| Compound ID |
CP0516618
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| Compound Name |
3-[5-[5-[2-(difluoromethyl)-3-fluoro-4-[[(2S)-1,1,1-trifluoropropan-2-yl]sulfamoyl]phenyl]-4-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-1,3,4-oxadiazol-2-yl]-2,2-dimethylpropanoic acid
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| Structure |
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| Formula |
C27H23F7N4O5S2
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| Molecular Weight |
680.624
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| Canonical SMILES |
C[C@H](NS(=O)(=O)c1ccc(-c2sc(nc2Cc2ccc(F)cc2)-c2nnc(CC(C)(C)C(O)=O)o2)c(C(F)F)c1F)C(F)(F)F
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| InChI |
InChI=1S/C27H23F7N4O5S2/c1-12(27(32,33)34)38-45(41,42)17-9-8-15(19(20(17)29)22(30)31)21-16(10-13-4-6-14(28)7-5-13)35-24(44-21)23-37-36-18(43-23)11-26(2,3)25(39)40/h4-9,12,22,38H,10-11H2,1-3H3,(H,39,40)/t12-/m0/s1
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| InChIKey |
LRJKAYGDKHTSDL-LBPRGKRZSA-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