General Information of the Compound
| Compound ID |
CP0379723
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| Compound Name |
(R)-2-(8-(4-(4-fluorophenyl)-N-methyltetrahydro-2H-pyran-4-carboxamido)-6,7,8,9-tetrahydropyrido[3,2-b]indolizin-5-yl)acetic acid
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| Structure |
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| Formula |
C26H28FN3O4
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| Molecular Weight |
465.525
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| Canonical SMILES |
CN([C@@H]1CCc2c(CC(O)=O)c3cccnc3n2C1)C(=O)C1(CCOCC1)c1ccc(F)cc1
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| InChI |
InChI=1S/C26H28FN3O4/c1-29(25(33)26(10-13-34-14-11-26)17-4-6-18(27)7-5-17)19-8-9-22-21(15-23(31)32)20-3-2-12-28-24(20)30(22)16-19/h2-7,12,19H,8-11,13-16H2,1H3,(H,31,32)/t19-/m1/s1
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| InChIKey |
GBNBXJFLMKNJTC-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