General Information of the Compound
| Compound ID |
CP0414128
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-[[4-[2-(4-chlorophenoxy)acetyl]piperazin-1-yl]methyl]-3-[5-(2-morpholin-4-ylacetyl)-2-propan-2-yloxyphenyl]quinazolin-4-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C36H40ClN5O6
|
||||||||||||||||||
| Molecular Weight |
674.198
|
||||||||||||||||||
| Canonical SMILES |
CC(C)Oc1ccc(cc1-n1c(CN2CCN(CC2)C(=O)COc2ccc(Cl)cc2)nc2ccccc2c1=O)C(=O)CN1CCOCC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C36H40ClN5O6/c1-25(2)48-33-12-7-26(32(43)22-40-17-19-46-20-18-40)21-31(33)42-34(38-30-6-4-3-5-29(30)36(42)45)23-39-13-15-41(16-14-39)35(44)24-47-28-10-8-27(37)9-11-28/h3-12,21,25H,13-20,22-24H2,1-2H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
MSKOGRDYDARNDW-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