General Information of the Compound
| Compound ID |
CP0380086
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| Compound Name |
2-[[6-[[4-(3-methoxyphenyl)-3-(4-methylphenyl)-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 |
C31H30N2O5
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| Molecular Weight |
510.59
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| Canonical SMILES |
COc1cccc(c1)-c1cc(=O)n(CC2CCc3c(C2)cccc3OCC(O)=O)nc1-c1ccc(C)cc1
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| InChI |
InChI=1S/C31H30N2O5/c1-20-9-12-22(13-10-20)31-27(24-5-3-7-25(16-24)37-2)17-29(34)33(32-31)18-21-11-14-26-23(15-21)6-4-8-28(26)38-19-30(35)36/h3-10,12-13,16-17,21H,11,14-15,18-19H2,1-2H3,(H,35,36)
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| InChIKey |
DXCNYEIWUOLVFU-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