General Information of the Compound
| Compound ID |
CP0504395
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
tert-butyl N-[5-[[4-[2-(benzylamino)-2-oxoethyl]-3-phenyl-1,4-dihydroquinazolin-2-ylidene]amino]pentyl]carbamate
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C33H41N5O3
|
||||||||||||||||||
| Molecular Weight |
555.723
|
||||||||||||||||||
| Canonical SMILES |
CC(C)(C)OC(=O)NCCCCCNC1=Nc2ccccc2C(CC(=O)NCc2ccccc2)N1c1ccccc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C33H41N5O3/c1-33(2,3)41-32(40)35-22-14-6-13-21-34-31-37-28-20-12-11-19-27(28)29(38(31)26-17-9-5-10-18-26)23-30(39)36-24-25-15-7-4-8-16-25/h4-5,7-12,15-20,29H,6,13-14,21-24H2,1-3H3,(H,34,37)(H,35,40)(H,36,39)
Show/Hide
|
||||||||||||||||||
| InChIKey |
VEEAJIJNOVSTTJ-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
Protein ID: PT03095, Voltage-dependent T-type calcium channel subunit alpha-1G
Cell Viability or Cytotoxicity Assay