General Information of the Compound
| Compound ID |
CP0969028
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(R)-N-{1-[2'-(1H-tetrazol-5-yl)-6'-(trifluoromethyl)-[1,1'-biphenyl]-4-yl]ethyl}-N-butylbenzo[d]oxazol-2-amine
Show/Hide
|
||||||||||||||||||
| Formula |
C27H25F3N6O
|
||||||||||||||||||
| Molecular Weight |
506.532
|
||||||||||||||||||
| Canonical SMILES |
CCCCN(c1nc2ccccc2o1)[C@H](C)c1ccc(-c2c(-c3nnn[nH]3)cccc2C(F)(F)F)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C27H25F3N6O/c1-3-4-16-36(26-31-22-10-5-6-11-23(22)37-26)17(2)18-12-14-19(15-13-18)24-20(25-32-34-35-33-25)8-7-9-21(24)27(28,29)30/h5-15,17H,3-4,16H2,1-2H3,(H,32,33,34,35)/t17-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
XXFGRUSUZSBUTP-QGZVFWFLSA-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