General Information of the Compound
| Compound ID |
CP0573114
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| Compound Name |
5-[(3R,4S)-4-(4-chlorophenyl)sulfonyl-3-hydroxy-3-(hydroxymethyl)pyrrolidin-1-yl]sulfonyl-6-(trifluoromethyl)pyridine-2-carbonitrile
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| Structure |
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| Formula |
C18H15ClF3N3O6S2
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| Molecular Weight |
525.914
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| Canonical SMILES |
OC[C@]1(O)CN(C[C@@H]1S(=O)(=O)c1ccc(Cl)cc1)S(=O)(=O)c1ccc(nc1C(F)(F)F)C#N
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| InChI |
InChI=1S/C18H15ClF3N3O6S2/c19-11-1-4-13(5-2-11)32(28,29)15-8-25(9-17(15,27)10-26)33(30,31)14-6-3-12(7-23)24-16(14)18(20,21)22/h1-6,15,26-27H,8-10H2/t15-,17+/m0/s1
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| InChIKey |
YYEDADXYHIHBDG-DOTOQJQBSA-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