General Information of the Compound
| Compound ID |
CP0503950
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[2-[2-(3,4-dimethoxyphenyl)tetrazol-5-yl]phenyl]-4-(trifluoromethyl)benzamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C23H18F3N5O3
|
||||||||||||||||||
| Molecular Weight |
469.423
|
||||||||||||||||||
| Canonical SMILES |
COc1ccc(cc1OC)-n1nnc(n1)-c1ccccc1NC(=O)c1ccc(cc1)C(F)(F)F
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H18F3N5O3/c1-33-19-12-11-16(13-20(19)34-2)31-29-21(28-30-31)17-5-3-4-6-18(17)27-22(32)14-7-9-15(10-8-14)23(24,25)26/h3-13H,1-2H3,(H,27,32)
Show/Hide
|
||||||||||||||||||
| InChIKey |
RNQGKQSSCCGNPY-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