General Information of the Compound
| Compound ID |
CP0503148
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| Compound Name |
(R)-3-{4-[1-(4-Cyclohex-1-enylphenyl)-3-(2,2,4,4-tetrafluoro-4H-benzo[1,3]dioxin-6-yl)ureidomethyl]benzoylamino}-2-hydroxypropionic acid
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| Structure |
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| Formula |
C32H29F4N3O7
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| Molecular Weight |
643.59
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| Canonical SMILES |
O[C@H](CNC(=O)c1ccc(CN(C(=O)Nc2ccc3OC(F)(F)OC(F)(F)c3c2)c2ccc(cc2)C2=CCCCC2)cc1)C(O)=O
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| InChI |
InChI=1S/C32H29F4N3O7/c33-31(34)25-16-23(12-15-27(25)45-32(35,36)46-31)38-30(44)39(24-13-10-21(11-14-24)20-4-2-1-3-5-20)18-19-6-8-22(9-7-19)28(41)37-17-26(40)29(42)43/h4,6-16,26,40H,1-3,5,17-18H2,(H,37,41)(H,38,44)(H,42,43)/t26-/m1/s1
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| InChIKey |
SPYNVKYBDKGKEH-AREMUKBSSA-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