General Information of the Compound
| Compound ID |
CP0339634
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| Compound Name |
3-[4-(cyclobutylmethyl)-5-[2,3-dichloro-4-[[(2S)-1,1,1-trifluorobutan-2-yl]sulfamoyl]phenyl]-1,3-thiazol-2-yl]-2,2-dimethylpropanoic acid
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| Structure |
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| Formula |
C23H27Cl2F3N2O4S2
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| Molecular Weight |
587.513
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| Canonical SMILES |
CC[C@H](NS(=O)(=O)c1ccc(-c2sc(CC(C)(C)C(O)=O)nc2CC2CCC2)c(Cl)c1Cl)C(F)(F)F
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| InChI |
InChI=1S/C23H27Cl2F3N2O4S2/c1-4-16(23(26,27)28)30-36(33,34)15-9-8-13(18(24)19(15)25)20-14(10-12-6-5-7-12)29-17(35-20)11-22(2,3)21(31)32/h8-9,12,16,30H,4-7,10-11H2,1-3H3,(H,31,32)/t16-/m0/s1
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| InChIKey |
VICVDIVPAGQTTO-INIZCTEOSA-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