General Information of the Compound
| Compound ID |
CP0423785
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| Compound Name |
(R)-3-{4-[1-(4-Cyclohex-1-enylphenyl)-3-(3,5-dichlorophenyl)ureidomethyl]benzoylamino}-2-methoxypropionic acid
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| Structure |
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| Formula |
C31H31Cl2N3O5
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| Molecular Weight |
596.511
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| Canonical SMILES |
CO[C@H](CNC(=O)c1ccc(CN(C(=O)Nc2cc(Cl)cc(Cl)c2)c2ccc(cc2)C2=CCCCC2)cc1)C(O)=O
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| InChI |
InChI=1S/C31H31Cl2N3O5/c1-41-28(30(38)39)18-34-29(37)23-9-7-20(8-10-23)19-36(31(40)35-26-16-24(32)15-25(33)17-26)27-13-11-22(12-14-27)21-5-3-2-4-6-21/h5,7-17,28H,2-4,6,18-19H2,1H3,(H,34,37)(H,35,40)(H,38,39)/t28-/m1/s1
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| InChIKey |
GIRRFIIUMQOFBL-MUUNZHRXSA-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
Protein ID: PT01356, Glucagon-like peptide 1 receptor