General Information of the Compound
| Compound ID |
CP0466500
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| Compound Name |
(+/-)-2-(4-(methylsulfonyl)-5-(p-tolylthio)-6,7,8,9-tetrahydropyrido[3,2-b]indolizin-6-yl)acetic acid
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| Structure |
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| Formula |
C21H22N2O4S2
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| Molecular Weight |
430.551
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| Canonical SMILES |
Cc1ccc(Sc2c3C(CC(O)=O)CCCn3c3nccc(c23)S(C)(=O)=O)cc1
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| InChI |
InChI=1S/C21H22N2O4S2/c1-13-5-7-15(8-6-13)28-20-18-16(29(2,26)27)9-10-22-21(18)23-11-3-4-14(19(20)23)12-17(24)25/h5-10,14H,3-4,11-12H2,1-2H3,(H,24,25)
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| InChIKey |
OOPPXCLFSYMOMD-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