General Information of the Compound
| Compound ID |
CP0100370
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| Compound Name |
2-[[6-[[4-(2,3-difluorophenyl)-6-oxo-5-phenylpyridazin-1-yl]methyl]-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]acetic acid
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| Structure |
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| Formula |
C29H24F2N2O4
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| Molecular Weight |
502.517
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| Canonical SMILES |
OC(=O)COc1cccc2CC(Cn3ncc(-c4cccc(F)c4F)c(-c4ccccc4)c3=O)CCc12
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| InChI |
InChI=1S/C29H24F2N2O4/c30-24-10-5-9-22(28(24)31)23-15-32-33(29(36)27(23)19-6-2-1-3-7-19)16-18-12-13-21-20(14-18)8-4-11-25(21)37-17-26(34)35/h1-11,15,18H,12-14,16-17H2,(H,34,35)
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| InChIKey |
CQMKTKJCIXXKCC-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