General Information of the Compound
| Compound ID |
CP0411448
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| Compound Name |
2-[[6-[[3-(4-methylphenyl)-6-oxo-4-phenylpyridazin-1-yl]methyl]-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]acetic acid
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| Structure |
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| Formula |
C30H28N2O4
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| Molecular Weight |
480.564
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| Canonical SMILES |
Cc1ccc(cc1)-c1nn(CC2CCc3c(C2)cccc3OCC(O)=O)c(=O)cc1-c1ccccc1
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| InChI |
InChI=1S/C30H28N2O4/c1-20-10-13-23(14-11-20)30-26(22-6-3-2-4-7-22)17-28(33)32(31-30)18-21-12-15-25-24(16-21)8-5-9-27(25)36-19-29(34)35/h2-11,13-14,17,21H,12,15-16,18-19H2,1H3,(H,34,35)
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| InChIKey |
WTFHMLBXIKRNAC-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