General Information of the Compound
| Compound ID |
CP0412740
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-methoxy-N-[2-[2-(4-methoxyphenyl)tetrazol-5-yl]phenyl]benzamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C22H19N5O3
|
||||||||||||||||||
| Molecular Weight |
401.426
|
||||||||||||||||||
| Canonical SMILES |
COc1ccc(cc1)C(=O)Nc1ccccc1-c1nnn(n1)-c1ccc(OC)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H19N5O3/c1-29-17-11-7-15(8-12-17)22(28)23-20-6-4-3-5-19(20)21-24-26-27(25-21)16-9-13-18(30-2)14-10-16/h3-14H,1-2H3,(H,23,28)
Show/Hide
|
||||||||||||||||||
| InChIKey |
SXABNFMIJZBSPG-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
Protein ID: PT01546, ATP-dependent translocase ABCB1
Protein ID: PT02718, Broad substrate specificity ATP-binding cassette transporter ABCG2
Cell Viability or Cytotoxicity Assay
| Cell Line ID | Cell Line Name | Cell Line Organism | |
| CL000145 | NCI-H460 | Homo sapiens (Human) | 3 |
| 1 |
IC50 = 149 nM
|
TI
LI
LO
TS
|
|
|---|---|---|---|
| 2 |
IC50 = 156 nM
|
TI
LI
LO
TS
|
|
| 3 |
IC50 > 100000 nM
|
TI
LI
LO
TS
|
|