General Information of the Compound
| Compound ID |
CP0495587
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| Compound Name |
2-(1-cyclopropyl-9-(3,4-dichlorophenylthio)-7,8-dihydro-6H-pyrido[3,4-b]pyrrolizin-8-yl)acetic acid
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| Structure |
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| Formula |
C21H18Cl2N2O2S
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| Molecular Weight |
433.36
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| Canonical SMILES |
OC(=O)CC1CCn2c1c(Sc1ccc(Cl)c(Cl)c1)c1c(nccc21)C1CC1
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| InChI |
InChI=1S/C21H18Cl2N2O2S/c22-14-4-3-13(10-15(14)23)28-21-18-16(5-7-24-19(18)11-1-2-11)25-8-6-12(20(21)25)9-17(26)27/h3-5,7,10-12H,1-2,6,8-9H2,(H,26,27)
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| InChIKey |
CKSFQUBFLPPBLA-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