General Information of the Compound
| Compound ID |
CP0484977
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| Compound Name |
2-(9-(2,6-dichlorophenylthio)-1-isopropyl-7,8-dihydro-6H-pyrido[3,4-b]pyrrolizin-8-yl)acetic acid
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| Structure |
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| Formula |
C21H20Cl2N2O2S
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| Molecular Weight |
435.376
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| Canonical SMILES |
CC(C)c1nccc2n3CCC(CC(O)=O)c3c(Sc3c(Cl)cccc3Cl)c12
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| InChI |
InChI=1S/C21H20Cl2N2O2S/c1-11(2)18-17-15(6-8-24-18)25-9-7-12(10-16(26)27)19(25)21(17)28-20-13(22)4-3-5-14(20)23/h3-6,8,11-12H,7,9-10H2,1-2H3,(H,26,27)
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| InChIKey |
MYYRBELEOPTTFG-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