General Information of the Compound
| Compound ID |
CP0411451
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| Compound Name |
2-[[6-[(6-oxo-4,5-diphenylpyridazin-1-yl)methyl]-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]acetic acid
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| Structure |
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| Formula |
C29H26N2O4
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| Molecular Weight |
466.537
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| Canonical SMILES |
OC(=O)COc1cccc2CC(Cn3ncc(-c4ccccc4)c(-c4ccccc4)c3=O)CCc12
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| InChI |
InChI=1S/C29H26N2O4/c32-27(33)19-35-26-13-7-12-23-16-20(14-15-24(23)26)18-31-29(34)28(22-10-5-2-6-11-22)25(17-30-31)21-8-3-1-4-9-21/h1-13,17,20H,14-16,18-19H2,(H,32,33)
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| InChIKey |
IAGFPTIINWCRHK-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