General Information of the Compound
| Compound ID |
CP0471960
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-[2-[butyl-[(1R)-1-[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]ethyl]amino]-1,3-benzoxazol-5-yl]-3-methylurea
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C28H30N8O2
|
||||||||||||||||||
| Molecular Weight |
510.602
|
||||||||||||||||||
| Canonical SMILES |
CCCCN([C@H](C)c1ccc(cc1)-c1ccccc1-c1nnn[nH]1)c1nc2cc(NC(=O)NC)ccc2o1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C28H30N8O2/c1-4-5-16-36(28-31-24-17-21(30-27(37)29-3)14-15-25(24)38-28)18(2)19-10-12-20(13-11-19)22-8-6-7-9-23(22)26-32-34-35-33-26/h6-15,17-18H,4-5,16H2,1-3H3,(H2,29,30,37)(H,32,33,34,35)/t18-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
BMVNOIQEOAAUNH-GOSISDBHSA-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: PT03813, Chemerin-like receptor 1
Protein ID: PT06934, Chemerin-like receptor 1