General Information of the Compound
| Compound ID |
CP0559525
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| Compound Name |
[(3R)-3-[4-[[2-chloro-6-(trifluoromethyl)phenyl]methoxy]phenyl]-3-(4-fluorophenyl)sulfonylpyrrolidin-1-yl]-(1,1-dioxothian-4-yl)methanone
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| Structure |
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| Formula |
C30H28ClF4NO6S2
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| Molecular Weight |
674.134
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| Canonical SMILES |
Fc1ccc(cc1)S(=O)(=O)[C@]1(CCN(C1)C(=O)C1CCS(=O)(=O)CC1)c1ccc(OCc2c(Cl)cccc2C(F)(F)F)cc1
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| InChI |
InChI=1S/C30H28ClF4NO6S2/c31-27-3-1-2-26(30(33,34)35)25(27)18-42-23-8-4-21(5-9-23)29(44(40,41)24-10-6-22(32)7-11-24)14-15-36(19-29)28(37)20-12-16-43(38,39)17-13-20/h1-11,20H,12-19H2/t29-/m0/s1
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| InChIKey |
ILGQRKGGQRCBNB-LJAQVGFWSA-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