General Information of the Compound
| Compound ID |
CP0395539
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| Compound Name |
2-[[6-[[4-(2,3-difluorophenyl)-5-(4-fluorophenyl)-6-oxopyridazin-1-yl]methyl]-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]acetic acid
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| Structure |
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| Formula |
C29H23F3N2O4
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| Molecular Weight |
520.507
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| Canonical SMILES |
OC(=O)COc1cccc2CC(Cn3ncc(-c4cccc(F)c4F)c(-c4ccc(F)cc4)c3=O)CCc12
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| InChI |
InChI=1S/C29H23F3N2O4/c30-20-10-8-18(9-11-20)27-23(22-4-2-5-24(31)28(22)32)14-33-34(29(27)37)15-17-7-12-21-19(13-17)3-1-6-25(21)38-16-26(35)36/h1-6,8-11,14,17H,7,12-13,15-16H2,(H,35,36)
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| InChIKey |
MWDJCTOIHXQKCS-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: PT02279, Prostacyclin receptor
Protein ID: PT05707, Prostacyclin receptor