General Information of the Compound
| Compound ID |
CP0387508
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| Compound Name |
(R)-trans-3-{4-[1-(4-tert-Butylcyclohexyl)-3-(3,5-dimethylphenyl)ureidomethyl]benzoylamino}-2-hydroxypropionic acid
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| Formula |
C30H41N3O5
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| Molecular Weight |
523.674
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| Canonical SMILES |
Cc1cc(C)cc(NC(=O)N(Cc2ccc(cc2)C(=O)NC[C@@H](O)C(O)=O)[C@H]2CC[C@@H](CC2)C(C)(C)C)c1
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| InChI |
InChI=1S/C30H41N3O5/c1-19-14-20(2)16-24(15-19)32-29(38)33(25-12-10-23(11-13-25)30(3,4)5)18-21-6-8-22(9-7-21)27(35)31-17-26(34)28(36)37/h6-9,14-16,23,25-26,34H,10-13,17-18H2,1-5H3,(H,31,35)(H,32,38)(H,36,37)/t23-,25-,26-/m1/s1
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| InChIKey |
VLGOFRLXSHLEAO-LGPLSSKUSA-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