General Information of the Compound
| Compound ID |
CP0211346
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-(4-((1-(4-cyclohexenylphenyl)-3-(3,5-dichlorophenyl)ureido)methyl)benzamido)propanoic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C30H29Cl2N3O4
|
||||||||||||||||||
| Molecular Weight |
566.485
|
||||||||||||||||||
| Canonical SMILES |
OC(=O)CCNC(=O)c1ccc(CN(C(=O)Nc2cc(Cl)cc(Cl)c2)c2ccc(cc2)C2=CCCCC2)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C30H29Cl2N3O4/c31-24-16-25(32)18-26(17-24)34-30(39)35(27-12-10-22(11-13-27)21-4-2-1-3-5-21)19-20-6-8-23(9-7-20)29(38)33-15-14-28(36)37/h4,6-13,16-18H,1-3,5,14-15,19H2,(H,33,38)(H,34,39)(H,36,37)
Show/Hide
|
||||||||||||||||||
| InChIKey |
VHURVYZHODPCCB-UHFFFAOYSA-N
|
||||||||||||||||||
| 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
|
||||||||||||||||||
| Click to Show/Hide the External Link(s) of This Compound | |||||||||||||||||||
| PubChem ID | |||||||||||||||||||
| ChEMBL ID | |||||||||||||||||||
Map of Molecular Bioactivity Related to the Compound
|
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 |
|
|---|
Table of Molecular Bioactivities Related to the Compound
Protein ID: PT02242, Gastric inhibitory polypeptide receptor
Protein ID: PT01473, Glucagon receptor
Protein ID: PT01356, Glucagon-like peptide 1 receptor