General Information of the Compound
| Compound ID |
CP0510407
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-(3-ethyl-2-piperidin-1-yl-4H-quinazolin-4-yl)-N-[(4-nitrophenyl)methyl]acetamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C24H29N5O3
|
||||||||||||||||||
| Molecular Weight |
435.528
|
||||||||||||||||||
| Canonical SMILES |
CCN1C(CC(=O)NCc2ccc(cc2)[N+]([O-])=O)c2ccccc2N=C1N1CCCCC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C24H29N5O3/c1-2-28-22(16-23(30)25-17-18-10-12-19(13-11-18)29(31)32)20-8-4-5-9-21(20)26-24(28)27-14-6-3-7-15-27/h4-5,8-13,22H,2-3,6-7,14-17H2,1H3,(H,25,30)
Show/Hide
|
||||||||||||||||||
| InChIKey |
YAOXFFYENABBKR-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