General Information of the Compound
| Compound ID |
CP0478525
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| Compound Name |
(R)-2-(8-(4-fluoro-N-methylphenylsulfonamido)-2-(4-fluorophenyl)-6,7,8,9-tetrahydropyrido[3,2-b]indolizin-5-yl)acetic acid
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| Structure |
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| Formula |
C26H23F2N3O4S
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| Molecular Weight |
511.55
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| Canonical SMILES |
CN([C@@H]1CCc2c(CC(O)=O)c3ccc(nc3n2C1)-c1ccc(F)cc1)S(=O)(=O)c1ccc(F)cc1
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| InChI |
InChI=1S/C26H23F2N3O4S/c1-30(36(34,35)20-9-6-18(28)7-10-20)19-8-13-24-22(14-25(32)33)21-11-12-23(29-26(21)31(24)15-19)16-2-4-17(27)5-3-16/h2-7,9-12,19H,8,13-15H2,1H3,(H,32,33)/t19-/m1/s1
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| InChIKey |
YYSOPQXCDUWSPV-LJQANCHMSA-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