General Information of the Compound
| Compound ID |
CP0390763
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| Compound Name |
1-[(5-chloro-2-propan-2-yl-1-benzofuran-7-yl)methyl]-5-methylpyrazole-3-carboxylic acid
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| Structure |
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| Formula |
C17H17ClN2O3
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| Molecular Weight |
332.787
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| Canonical SMILES |
CC(C)c1cc2cc(Cl)cc(Cn3nc(cc3C)C(O)=O)c2o1
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| InChI |
InChI=1S/C17H17ClN2O3/c1-9(2)15-7-11-5-13(18)6-12(16(11)23-15)8-20-10(3)4-14(19-20)17(21)22/h4-7,9H,8H2,1-3H3,(H,21,22)
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| InChIKey |
MJUSLUQFEHEIHA-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: PT01205, Prostaglandin E2 receptor EP1 subtype
Protein ID: PT01367, Prostaglandin E2 receptor EP3 subtype