General Information of the Compound
| Compound ID |
CP0375060
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| Compound Name |
(R)-3-{4-[3-(3-Chlorophenyl)-1-(4-cyclohex-1-enylphenyl)ureidomethyl]benzoylamino}-2-hydroxypropionic acid
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| Structure |
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| Formula |
C30H30ClN3O5
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| Molecular Weight |
548.039
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| Canonical SMILES |
O[C@H](CNC(=O)c1ccc(CN(C(=O)Nc2cccc(Cl)c2)c2ccc(cc2)C2=CCCCC2)cc1)C(O)=O
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| InChI |
InChI=1S/C30H30ClN3O5/c31-24-7-4-8-25(17-24)33-30(39)34(26-15-13-22(14-16-26)21-5-2-1-3-6-21)19-20-9-11-23(12-10-20)28(36)32-18-27(35)29(37)38/h4-5,7-17,27,35H,1-3,6,18-19H2,(H,32,36)(H,33,39)(H,37,38)/t27-/m1/s1
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| InChIKey |
YAJKYUVXRYCKPC-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