General Information of the Compound
| Compound ID |
CP0545580
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
tert-butyl 4-[[3-[[(4-methoxybenzoyl)-(pyridin-4-ylmethyl)amino]methyl]phenoxy]methyl]piperidine-1-carboxylate
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C32H39N3O5
|
||||||||||||||||||
| Molecular Weight |
545.68
|
||||||||||||||||||
| Canonical SMILES |
COc1ccc(cc1)C(=O)N(Cc1ccncc1)Cc1cccc(OCC2CCN(CC2)C(=O)OC(C)(C)C)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C32H39N3O5/c1-32(2,3)40-31(37)34-18-14-25(15-19-34)23-39-29-7-5-6-26(20-29)22-35(21-24-12-16-33-17-13-24)30(36)27-8-10-28(38-4)11-9-27/h5-13,16-17,20,25H,14-15,18-19,21-23H2,1-4H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
CJERIKXMMZAWJR-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