General Information of the Compound
| Compound ID |
CP0465995
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| Compound Name |
(R)-3-(4-((3-(3,5-dichlorophenyl)-5-(4-(trifluoromethoxy)phenyl)-1H-pyrazol-1-yl)methyl)benzamido)-2-hydroxypropanoic acid
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| Structure |
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| Formula |
C27H20Cl2F3N3O5
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| Molecular Weight |
594.373
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| Canonical SMILES |
O[C@H](CNC(=O)c1ccc(Cn2nc(cc2-c2ccc(OC(F)(F)F)cc2)-c2cc(Cl)cc(Cl)c2)cc1)C(O)=O
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| InChI |
InChI=1S/C27H20Cl2F3N3O5/c28-19-9-18(10-20(29)11-19)22-12-23(16-5-7-21(8-6-16)40-27(30,31)32)35(34-22)14-15-1-3-17(4-2-15)25(37)33-13-24(36)26(38)39/h1-12,24,36H,13-14H2,(H,33,37)(H,38,39)/t24-/m1/s1
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| InChIKey |
HRIJGNOIUPZUGR-XMMPIXPASA-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