General Information of the Compound
| Compound ID |
CP0462961
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| Compound Name |
3-[[4-[[5-(3-chloro-4-propoxyphenyl)-3-(3,5-dichlorophenyl)pyrazol-1-yl]methyl]benzoyl]amino]propanoic acid
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| Structure |
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| Formula |
C29H26Cl3N3O4
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| Molecular Weight |
586.903
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| Canonical SMILES |
CCCOc1ccc(cc1Cl)-c1cc(nn1Cc1ccc(cc1)C(=O)NCCC(O)=O)-c1cc(Cl)cc(Cl)c1
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| InChI |
InChI=1S/C29H26Cl3N3O4/c1-2-11-39-27-8-7-20(14-24(27)32)26-16-25(21-12-22(30)15-23(31)13-21)34-35(26)17-18-3-5-19(6-4-18)29(38)33-10-9-28(36)37/h3-8,12-16H,2,9-11,17H2,1H3,(H,33,38)(H,36,37)
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| InChIKey |
RKOQKCAZXCZGSF-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: PT02242, Gastric inhibitory polypeptide receptor
Protein ID: PT01473, Glucagon receptor