General Information of the Compound
| Compound ID |
CP0375061
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| Compound Name |
(R)-3-{4-[1-(4-Cyclohex-1-enylphenyl)-3-phenyl-ureidomethyl]benzoylamino}-2-hydroxypropionic acid
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| Structure |
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| Formula |
C30H31N3O5
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| Molecular Weight |
513.594
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| Canonical SMILES |
O[C@H](CNC(=O)c1ccc(CN(C(=O)Nc2ccccc2)c2ccc(cc2)C2=CCCCC2)cc1)C(O)=O
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| InChI |
InChI=1S/C30H31N3O5/c34-27(29(36)37)19-31-28(35)24-13-11-21(12-14-24)20-33(30(38)32-25-9-5-2-6-10-25)26-17-15-23(16-18-26)22-7-3-1-4-8-22/h2,5-7,9-18,27,34H,1,3-4,8,19-20H2,(H,31,35)(H,32,38)(H,36,37)/t27-/m1/s1
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| InChIKey |
ZXQXWCSWONAZDK-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