General Information of the Compound
| Compound ID |
CP0481332
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| Compound Name |
2-(1-isopropyl-9-(2,4,5-trichlorophenylthio)-7,8-dihydro-6H-pyrido[3,4-b]pyrrolizin-8-yl)acetic acid
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| Structure |
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| Formula |
C21H19Cl3N2O2S
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| Molecular Weight |
469.821
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| Canonical SMILES |
CC(C)c1nccc2n3CCC(CC(O)=O)c3c(Sc3cc(Cl)c(Cl)cc3Cl)c12
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| InChI |
InChI=1S/C21H19Cl3N2O2S/c1-10(2)19-18-15(3-5-25-19)26-6-4-11(7-17(27)28)20(26)21(18)29-16-9-13(23)12(22)8-14(16)24/h3,5,8-11H,4,6-7H2,1-2H3,(H,27,28)
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| InChIKey |
VONICINKTYRBRJ-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