General Information of the Compound
| Compound ID |
CP0375084
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| Compound Name |
(-)-(R)-Ethyl-[2-ethoxy-2-[1-(4-methoxy)phenyl-2-methyl-5-(4-methylsulfonyl)phenyl-1H-pyrrol-3-yl]]acetate
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| Structure |
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| Formula |
C25H29NO6S
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| Molecular Weight |
471.575
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| Canonical SMILES |
CCO[C@@H](C(=O)OCC)c1cc(-c2ccc(cc2)S(C)(=O)=O)n(c1C)-c1ccc(OC)cc1
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| InChI |
InChI=1S/C25H29NO6S/c1-6-31-24(25(27)32-7-2)22-16-23(18-8-14-21(15-9-18)33(5,28)29)26(17(22)3)19-10-12-20(30-4)13-11-19/h8-16,24H,6-7H2,1-5H3/t24-/m1/s1
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| InChIKey |
ZFKIBWYUMBAGLZ-XMMPIXPASA-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