General Information of the Compound
| Compound ID |
CP0503601
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| Compound Name |
(R)-2-(8-(1-(4-fluorophenyl)-N-methylcyclobutanecarboxamido)-6,7,8,9-tetrahydropyrido[3,2-b]indolizin-5-yl)acetic acid
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| Structure |
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| Formula |
C25H26FN3O3
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| Molecular Weight |
435.499
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| Canonical SMILES |
CN([C@@H]1CCc2c(CC(O)=O)c3cccnc3n2C1)C(=O)C1(CCC1)c1ccc(F)cc1
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| InChI |
InChI=1S/C25H26FN3O3/c1-28(24(32)25(11-3-12-25)16-5-7-17(26)8-6-16)18-9-10-21-20(14-22(30)31)19-4-2-13-27-23(19)29(21)15-18/h2,4-8,13,18H,3,9-12,14-15H2,1H3,(H,30,31)/t18-/m1/s1
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| InChIKey |
XJXZIBHKBKXCGX-GOSISDBHSA-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