General Information of the Compound
| Compound ID |
CP0374147
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| Compound Name |
(+/-)-2-(4-(methylsulfonyl)-5-(phenylthio)-6,7,8,9-tetrahydropyrido[3,2-b]indolizin-6-yl)acetic acid
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| Structure |
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| Formula |
C20H20N2O4S2
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| Molecular Weight |
416.524
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| Canonical SMILES |
CS(=O)(=O)c1ccnc2n3CCCC(CC(O)=O)c3c(Sc3ccccc3)c12
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| InChI |
InChI=1S/C20H20N2O4S2/c1-28(25,26)15-9-10-21-20-17(15)19(27-14-7-3-2-4-8-14)18-13(12-16(23)24)6-5-11-22(18)20/h2-4,7-10,13H,5-6,11-12H2,1H3,(H,23,24)
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| InChIKey |
TXIWKVXUKOLFMS-UHFFFAOYSA-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: PT01819, Thromboxane A2 receptor