General Information of the Compound
| Compound ID |
CP0424254
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-[2-[butyl-[(1R)-1-[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]ethyl]amino]-1,3-benzoxazol-5-yl]-1,1-dimethylurea
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C29H32N8O2
|
||||||||||||||||||
| Molecular Weight |
524.629
|
||||||||||||||||||
| Canonical SMILES |
CCCCN([C@H](C)c1ccc(cc1)-c1ccccc1-c1nnn[nH]1)c1nc2cc(NC(=O)N(C)C)ccc2o1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C29H32N8O2/c1-5-6-17-37(29-31-25-18-22(15-16-26(25)39-29)30-28(38)36(3)4)19(2)20-11-13-21(14-12-20)23-9-7-8-10-24(23)27-32-34-35-33-27/h7-16,18-19H,5-6,17H2,1-4H3,(H,30,38)(H,32,33,34,35)/t19-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
FTMPMNFUCSDIJH-LJQANCHMSA-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