General Information of the Compound
| Compound ID |
CP0538014
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-[4-(4-Phenoxy-phenylcarbamoyl)-piperazin-1-yl]-quinazoline-7-carboxylic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C26H23N5O4
|
||||||||||||||||||
| Molecular Weight |
469.501
|
||||||||||||||||||
| Canonical SMILES |
OC(=O)c1ccc2c(ncnc2c1)N1CCN(CC1)C(=O)Nc1ccc(Oc2ccccc2)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C26H23N5O4/c32-25(33)18-6-11-22-23(16-18)27-17-28-24(22)30-12-14-31(15-13-30)26(34)29-19-7-9-21(10-8-19)35-20-4-2-1-3-5-20/h1-11,16-17H,12-15H2,(H,29,34)(H,32,33)
Show/Hide
|
||||||||||||||||||
| InChIKey |
PTOGCMYUHSNVPZ-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