General Information of the Compound
| Compound ID |
CP0198576
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| Compound Name |
(S)-N-(2-chloro-4-(2-chloro-N-methylphenylsulfonamido)phenyl)-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide
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| Structure |
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| Formula |
C17H15Cl2F3N2O4S
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| Molecular Weight |
471.284
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| Canonical SMILES |
CN(c1ccc(NC(=O)[C@](C)(O)C(F)(F)F)c(Cl)c1)S(=O)(=O)c1ccccc1Cl
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| InChI |
InChI=1S/C17H15Cl2F3N2O4S/c1-16(26,17(20,21)22)15(25)23-13-8-7-10(9-12(13)19)24(2)29(27,28)14-6-4-3-5-11(14)18/h3-9,26H,1-2H3,(H,23,25)/t16-/m0/s1
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| InChIKey |
FPFNQOKNVBGPTM-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
Protein ID: PT01555, Oxysterols receptor LXR-alpha
Protein ID: PT01887, Oxysterols receptor LXR-beta