General Information of the Compound
| Compound ID |
CP0426598
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| Compound Name |
(R)-2-(2-chloro-8-(4-fluoro-N-methylphenylsulfonamido)-6,7,8,9-tetrahydropyrido[3,2-b]indolizin-5-yl)acetic acid
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| Structure |
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| Formula |
C20H19ClFN3O4S
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| Molecular Weight |
451.907
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| Canonical SMILES |
CN([C@@H]1CCc2c(CC(O)=O)c3ccc(Cl)nc3n2C1)S(=O)(=O)c1ccc(F)cc1
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| InChI |
InChI=1S/C20H19ClFN3O4S/c1-24(30(28,29)14-5-2-12(22)3-6-14)13-4-8-17-16(10-19(26)27)15-7-9-18(21)23-20(15)25(17)11-13/h2-3,5-7,9,13H,4,8,10-11H2,1H3,(H,26,27)/t13-/m1/s1
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| InChIKey |
BGWMCYCHLWPGRV-CYBMUJFWSA-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: PT01054, Prostaglandin D2 receptor
Protein ID: PT01171, Prostaglandin D2 receptor 2
Protein ID: PT01819, Thromboxane A2 receptor