General Information of the Compound
| Compound ID |
CP0372672
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-(cyclopropylmethyl)-2-[4-oxo-2-phenyl-6-(3-pyrrolidin-1-ylpropoxy)quinazolin-3-yl]acetamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C27H32N4O3
|
||||||||||||||||||
| Molecular Weight |
460.578
|
||||||||||||||||||
| Canonical SMILES |
O=C(Cn1c(nc2ccc(OCCCN3CCCC3)cc2c1=O)-c1ccccc1)NCC1CC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C27H32N4O3/c32-25(28-18-20-9-10-20)19-31-26(21-7-2-1-3-8-21)29-24-12-11-22(17-23(24)27(31)33)34-16-6-15-30-13-4-5-14-30/h1-3,7-8,11-12,17,20H,4-6,9-10,13-16,18-19H2,(H,28,32)
Show/Hide
|
||||||||||||||||||
| InChIKey |
PDULSSBWYCYOPB-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