General Information of the Compound
| Compound ID |
CP0459787
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| Compound Name |
(R)-3-{4-[3-(3-tert-Butylphenyl)-1-(4-cyclohexylphenyl)ureidomethyl]benzoylamino}-2-hydroxypropionic acid
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| Structure |
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| Formula |
C34H41N3O5
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| Molecular Weight |
571.718
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| Canonical SMILES |
CC(C)(C)c1cccc(NC(=O)N(Cc2ccc(cc2)C(=O)NC[C@@H](O)C(O)=O)c2ccc(cc2)C2CCCCC2)c1
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| InChI |
InChI=1S/C34H41N3O5/c1-34(2,3)27-10-7-11-28(20-27)36-33(42)37(29-18-16-25(17-19-29)24-8-5-4-6-9-24)22-23-12-14-26(15-13-23)31(39)35-21-30(38)32(40)41/h7,10-20,24,30,38H,4-6,8-9,21-22H2,1-3H3,(H,35,39)(H,36,42)(H,40,41)/t30-/m1/s1
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| InChIKey |
AKFRCBAYXPRXSG-SSEXGKCCSA-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