General Information of the Compound
| Compound ID |
CP0410062
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| Compound Name |
2-((8R)-8-(1-(4-fluorophenyl)-N,2,2-trimethylcyclopropanecarboxamido)-6,7,8,9-tetrahydropyrido[3,2-b]indolizin-5-yl)acetic acid
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| Structure |
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| Formula |
C26H28FN3O3
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| Molecular Weight |
449.526
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| Canonical SMILES |
CN([C@@H]1CCc2c(CC(O)=O)c3cccnc3n2C1)C(=O)C1(CC1(C)C)c1ccc(F)cc1
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| InChI |
InChI=1S/C26H28FN3O3/c1-25(2)15-26(25,16-6-8-17(27)9-7-16)24(33)29(3)18-10-11-21-20(13-22(31)32)19-5-4-12-28-23(19)30(21)14-18/h4-9,12,18H,10-11,13-15H2,1-3H3,(H,31,32)/t18-,26?/m1/s1
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| InChIKey |
UILSBGCHDOPRQV-QOBPCVTDSA-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