General Information of the Compound
| Compound ID |
CP0846434
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(E)-N-{4'-[(2-Methoxy-ethylamino)-methyl]-biphenyl-4-ylmethyl}-3-phenyl-N-pyridin-3-ylmethyl-acrylamide TFA
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C34H34F3N3O4
|
||||||||||||||||||
| Molecular Weight |
605.657
|
||||||||||||||||||
| Canonical SMILES |
COCCNCc1ccc(-c2ccc(CN(Cc3cccnc3)C(=O)/C=C/c3ccccc3)cc2)cc1.O=C(O)C(F)(F)F
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C32H33N3O2.C2HF3O2/c1-37-21-20-34-22-27-9-14-30(15-10-27)31-16-11-28(12-17-31)24-35(25-29-8-5-19-33-23-29)32(36)18-13-26-6-3-2-4-7-26;3-2(4,5)1(6)7/h2-19,23,34H,20-22,24-25H2,1H3;(H,6,7)/b18-13+;
Show/Hide
|
||||||||||||||||||
| InChIKey |
ALEUPTXXLPRFBT-PUBYZPQMSA-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