General Information of the Compound
| Compound ID |
CP0902911
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
5-(tert-butyl)-N-(5-cyano-2-(2,4-difluorophenoxy)piperidin-1-yl)phenyl)-2-methoxybenzamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C30H31F2N3O3
|
||||||||||||||||||
| Molecular Weight |
519.592
|
||||||||||||||||||
| Canonical SMILES |
COc1ccc(C(C)(C)C)cc1C(=O)Nc1cc(C#N)ccc1N1CCC(Oc2ccc(F)cc2F)CC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C30H31F2N3O3/c1-30(2,3)20-6-9-27(37-4)23(16-20)29(36)34-25-15-19(18-33)5-8-26(25)35-13-11-22(12-14-35)38-28-10-7-21(31)17-24(28)32/h5-10,15-17,22H,11-14H2,1-4H3,(H,34,36)
Show/Hide
|
||||||||||||||||||
| InChIKey |
QLULFDYIRVQWRX-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