General Information of the Compound
| Compound ID |
CP0330311
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| Compound Name |
3-[5-[5-[2-(difluoromethyl)-3-fluoro-4-[[(2S)-1,1,1-trifluoropropan-2-yl]sulfamoyl]phenyl]-4-(2-methoxy-2-methylpropyl)-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 |
C25H28F6N4O6S2
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| Molecular Weight |
658.643
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| Canonical SMILES |
COC(C)(C)Cc1nc(sc1-c1ccc(c(F)c1C(F)F)S(=O)(=O)N[C@@H](C)C(F)(F)F)-c1nnc(CC(C)(C)C(O)=O)o1
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| InChI |
InChI=1S/C25H28F6N4O6S2/c1-11(25(29,30)31)35-43(38,39)14-8-7-12(16(17(14)26)19(27)28)18-13(9-24(4,5)40-6)32-21(42-18)20-34-33-15(41-20)10-23(2,3)22(36)37/h7-8,11,19,35H,9-10H2,1-6H3,(H,36,37)/t11-/m0/s1
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| InChIKey |
VHGGVTVFPZUWCU-NSHDSACASA-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