General Information of the Compound
| Compound ID |
CP0429831
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-[2-(5-aminopentylimino)-3-phenyl-1,4-dihydroquinazolin-4-yl]-N-benzylacetamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C28H33N5O
|
||||||||||||||||||
| Molecular Weight |
455.606
|
||||||||||||||||||
| Canonical SMILES |
NCCCCCNC1=Nc2ccccc2C(CC(=O)NCc2ccccc2)N1c1ccccc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C28H33N5O/c29-18-10-3-11-19-30-28-32-25-17-9-8-16-24(25)26(33(28)23-14-6-2-7-15-23)20-27(34)31-21-22-12-4-1-5-13-22/h1-2,4-9,12-17,26H,3,10-11,18-21,29H2,(H,30,32)(H,31,34)
Show/Hide
|
||||||||||||||||||
| InChIKey |
VWVALUBNUMXGMA-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