General Information of the Compound
| Compound ID |
CP0398389
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| Compound Name |
2-[[6-[[3-(4-fluorophenyl)-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 |
C29H25FN2O4
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| Molecular Weight |
484.527
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| Canonical SMILES |
OC(=O)COc1cccc2CC(Cn3nc(-c4ccc(F)cc4)c(cc3=O)-c3ccccc3)CCc12
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| InChI |
InChI=1S/C29H25FN2O4/c30-23-12-10-21(11-13-23)29-25(20-5-2-1-3-6-20)16-27(33)32(31-29)17-19-9-14-24-22(15-19)7-4-8-26(24)36-18-28(34)35/h1-8,10-13,16,19H,9,14-15,17-18H2,(H,34,35)
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| InChIKey |
HWMMFHGSAFFBTJ-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