General Information of the Compound
| Compound ID |
CP0435018
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| Compound Name |
(R)-3-{4-[1-(4-Cyclohexylphenyl)-3-(3-methylthio)phenyl-ureidomethyl]benzoylamino}-2-hydroxypropionic acid
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| Structure |
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| Formula |
C31H35N3O5S
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| Molecular Weight |
561.704
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| Canonical SMILES |
CSc1cccc(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/C31H35N3O5S/c1-40-27-9-5-8-25(18-27)33-31(39)34(26-16-14-23(15-17-26)22-6-3-2-4-7-22)20-21-10-12-24(13-11-21)29(36)32-19-28(35)30(37)38/h5,8-18,22,28,35H,2-4,6-7,19-20H2,1H3,(H,32,36)(H,33,39)(H,37,38)/t28-/m1/s1
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| InChIKey |
SYWXLIGCTNVJDM-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