General Information of the Compound
| Compound ID |
CP0463788
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| Compound Name |
(R)-3-{4-[1-(4-Cyclohexylphenyl)-3-(4-trifluoromethylsulfanylphenyl)ureidomethyl]benzoylamino}-2-hydroxypropionic acid
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| Structure |
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| Formula |
C31H32F3N3O5S
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| Molecular Weight |
615.674
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| Canonical SMILES |
O[C@H](CNC(=O)c1ccc(CN(C(=O)Nc2ccc(SC(F)(F)F)cc2)c2ccc(cc2)C2CCCCC2)cc1)C(O)=O
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| InChI |
InChI=1S/C31H32F3N3O5S/c32-31(33,34)43-26-16-12-24(13-17-26)36-30(42)37(25-14-10-22(11-15-25)21-4-2-1-3-5-21)19-20-6-8-23(9-7-20)28(39)35-18-27(38)29(40)41/h6-17,21,27,38H,1-5,18-19H2,(H,35,39)(H,36,42)(H,40,41)/t27-/m1/s1
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| InChIKey |
REIGIHUHXDNPSA-HHHXNRCGSA-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