General Information of the Compound
| Compound ID |
CP0450902
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
methyl 2-[7-[[2-[(4-chlorophenyl)methoxy]acetyl]amino]-6-[3-(dimethylamino)phenoxy]-4-oxoquinazolin-3-yl]acetate
Show/Hide
|
||||||||||||||||||
| Formula |
C28H27ClN4O6
|
||||||||||||||||||
| Molecular Weight |
550.999
|
||||||||||||||||||
| Canonical SMILES |
COC(=O)Cn1cnc2cc(NC(=O)COCc3ccc(Cl)cc3)c(Oc3cccc(c3)N(C)C)cc2c1=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C28H27ClN4O6/c1-32(2)20-5-4-6-21(11-20)39-25-12-22-23(30-17-33(28(22)36)14-27(35)37-3)13-24(25)31-26(34)16-38-15-18-7-9-19(29)10-8-18/h4-13,17H,14-16H2,1-3H3,(H,31,34)
Show/Hide
|
||||||||||||||||||
| InChIKey |
VCNSMFROXOZHKW-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 | |||||||||||||||||||
| 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