General Information of the Compound
| Compound ID |
CP0455603
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| Compound Name |
(3S,4R)-3-hydroxy-2,2-dimethyl-N-phenethyl-4-(2-(trifluoromethoxy)phenylsulfonamido)chroman-6-carboxamide
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| Structure |
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| Formula |
C27H27F3N2O6S
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| Molecular Weight |
564.582
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| Canonical SMILES |
CC1(C)Oc2ccc(cc2[C@@H](NS(=O)(=O)c2ccccc2OC(F)(F)F)[C@@H]1O)C(=O)NCCc1ccccc1
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| InChI |
InChI=1S/C27H27F3N2O6S/c1-26(2)24(33)23(32-39(35,36)22-11-7-6-10-21(22)38-27(28,29)30)19-16-18(12-13-20(19)37-26)25(34)31-15-14-17-8-4-3-5-9-17/h3-13,16,23-24,32-33H,14-15H2,1-2H3,(H,31,34)/t23-,24+/m1/s1
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| InChIKey |
FTXHDGBKIZXPRJ-RPWUZVMVSA-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