General Information of the Compound
| Compound ID |
CP0375090
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| Compound Name |
(-)-(R)-Ethyl-[2-ethoxy-2-[-2-methyl-5-(4-methylsulfonyl)phenyl-1-phenyl-1H-pyrrol-3-yl]]acetate
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| Structure |
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| Formula |
C24H27NO5S
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| Molecular Weight |
441.549
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| Canonical SMILES |
CCO[C@@H](C(=O)OCC)c1cc(-c2ccc(cc2)S(C)(=O)=O)n(c1C)-c1ccccc1
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| InChI |
InChI=1S/C24H27NO5S/c1-5-29-23(24(26)30-6-2)21-16-22(18-12-14-20(15-13-18)31(4,27)28)25(17(21)3)19-10-8-7-9-11-19/h7-16,23H,5-6H2,1-4H3/t23-/m1/s1
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| InChIKey |
RSDWFRPCZDPSCL-HSZRJFAPSA-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: PT01898, Prostaglandin G/H synthase 1
Protein ID: PT01062, Prostaglandin G/H synthase 2