General Information of the Compound
| Compound ID |
CP0042837
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
7-methyl-5-[2-[4-[2-[4-(tetrazol-1-yl)phenyl]acetyl]piperazin-1-yl]ethyl]-3H-2-benzofuran-1-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C24H26N6O3
|
||||||||||||||||||
| Molecular Weight |
446.511
|
||||||||||||||||||
| Canonical SMILES |
Cc1cc(CCN2CCN(CC2)C(=O)Cc2ccc(cc2)-n2cnnn2)cc2COC(=O)c12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C24H26N6O3/c1-17-12-19(13-20-15-33-24(32)23(17)20)6-7-28-8-10-29(11-9-28)22(31)14-18-2-4-21(5-3-18)30-16-25-26-27-30/h2-5,12-13,16H,6-11,14-15H2,1H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
LOAYDOHVFZLCRR-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