General Information of the Compound
| Compound ID |
CP0459788
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| Compound Name |
(R)-3-{4-[3-(3-Bromo-5-trifluoromethylphenyl)-1-(4-cyclohex-1-enylphenyl)ureidomethyl]benzoylamino}-2-hydroxypropionic acid
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| Structure |
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| Formula |
C31H29BrF3N3O5
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| Molecular Weight |
660.487
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| Canonical SMILES |
O[C@H](CNC(=O)c1ccc(CN(C(=O)Nc2cc(Br)cc(c2)C(F)(F)F)c2ccc(cc2)C2=CCCCC2)cc1)C(O)=O
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| InChI |
InChI=1S/C31H29BrF3N3O5/c32-24-14-23(31(33,34)35)15-25(16-24)37-30(43)38(26-12-10-21(11-13-26)20-4-2-1-3-5-20)18-19-6-8-22(9-7-19)28(40)36-17-27(39)29(41)42/h4,6-16,27,39H,1-3,5,17-18H2,(H,36,40)(H,37,43)(H,41,42)/t27-/m1/s1
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| InChIKey |
OBRBSPYTOYTECA-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