General Information of the Compound
| Compound ID |
CP0481329
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| Compound Name |
2-(1-cyclopropyl-10-(3,4-dichlorophenylthio)-6,7,8,9-tetrahydropyrido[3,4-b]indolizin-9-yl)acetic acid
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| Structure |
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| Formula |
C22H20Cl2N2O2S
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| Molecular Weight |
447.387
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| Canonical SMILES |
OC(=O)CC1CCCn2c1c(Sc1ccc(Cl)c(Cl)c1)c1c(nccc21)C1CC1
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| InChI |
InChI=1S/C22H20Cl2N2O2S/c23-15-6-5-14(11-16(15)24)29-22-19-17(7-8-25-20(19)12-3-4-12)26-9-1-2-13(21(22)26)10-18(27)28/h5-8,11-13H,1-4,9-10H2,(H,27,28)
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| InChIKey |
MXTAFTXCFGYNEF-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