General Information of the Compound
| Compound ID |
CP0423784
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| Compound Name |
(R)-trans-3-{4-[1-(4-tert-Butyl-cyclohexyl)-3-(3-methyl-5-trifluoromethylphenyl)ureidomethyl]benzoylamino}-2-hydroxy-propionic acid
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| Formula |
C30H38F3N3O5
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| Molecular Weight |
577.644
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| Canonical SMILES |
Cc1cc(NC(=O)N(Cc2ccc(cc2)C(=O)NC[C@@H](O)C(O)=O)[C@H]2CC[C@@H](CC2)C(C)(C)C)cc(c1)C(F)(F)F
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| InChI |
InChI=1S/C30H38F3N3O5/c1-18-13-22(30(31,32)33)15-23(14-18)35-28(41)36(24-11-9-21(10-12-24)29(2,3)4)17-19-5-7-20(8-6-19)26(38)34-16-25(37)27(39)40/h5-8,13-15,21,24-25,37H,9-12,16-17H2,1-4H3,(H,34,38)(H,35,41)(H,39,40)/t21-,24-,25-/m1/s1
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| InChIKey |
OLGWNKHCHXVJMX-NQHRYMMQSA-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