General Information of the Compound
| Compound ID |
CP0517419
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| Compound Name |
(R)-3-{4-[3-(4-Cyano-3-trifluoromethylphenyl)-1-(4-cyclohexylphenyl)ureidomethyl]benzoylamino}-2-hydroxypropionic acid
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| Structure |
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| Formula |
C32H31F3N4O5
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| Molecular Weight |
608.617
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| Canonical SMILES |
O[C@H](CNC(=O)c1ccc(CN(C(=O)Nc2ccc(C#N)c(c2)C(F)(F)F)c2ccc(cc2)C2CCCCC2)cc1)C(O)=O
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| InChI |
InChI=1S/C32H31F3N4O5/c33-32(34,35)27-16-25(13-10-24(27)17-36)38-31(44)39(26-14-11-22(12-15-26)21-4-2-1-3-5-21)19-20-6-8-23(9-7-20)29(41)37-18-28(40)30(42)43/h6-16,21,28,40H,1-5,18-19H2,(H,37,41)(H,38,44)(H,42,43)/t28-/m1/s1
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| InChIKey |
ANMUHQCUTMTNRH-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