General Information of the Compound
| Compound ID |
CP0957438
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(R)-N-{1-[2'-(1H-tetrazol-5-yl)-[1,1'-biphenyl]-4-yl]ethyl}-N-butyl-4-(pyridin-2-yl)benzo[d]oxazol-2-amine
Show/Hide
|
||||||||||||||||||
| Formula |
C31H29N7O
|
||||||||||||||||||
| Molecular Weight |
515.621
|
||||||||||||||||||
| Canonical SMILES |
CCCCN(c1nc2c(-c3ccccn3)cccc2o1)[C@H](C)c1ccc(-c2ccccc2-c2nnn[nH]2)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C31H29N7O/c1-3-4-20-38(31-33-29-26(12-9-14-28(29)39-31)27-13-7-8-19-32-27)21(2)22-15-17-23(18-16-22)24-10-5-6-11-25(24)30-34-36-37-35-30/h5-19,21H,3-4,20H2,1-2H3,(H,34,35,36,37)/t21-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
YYQHVMMXZIBVJV-OAQYLSRUSA-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 | |||||||||||||||||||
| 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