General Information of the Compound
| Compound ID |
CP0485975
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
methyl 2-[3-(5-aminopentyl)-2-(4-phenylanilino)-4H-quinazolin-4-yl]acetate
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C28H32N4O2
|
||||||||||||||||||
| Molecular Weight |
456.59
|
||||||||||||||||||
| Canonical SMILES |
COC(=O)CC1N(CCCCCN)C(Nc2ccc(cc2)-c2ccccc2)=Nc2ccccc12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C28H32N4O2/c1-34-27(33)20-26-24-12-6-7-13-25(24)31-28(32(26)19-9-3-8-18-29)30-23-16-14-22(15-17-23)21-10-4-2-5-11-21/h2,4-7,10-17,26H,3,8-9,18-20,29H2,1H3,(H,30,31)
Show/Hide
|
||||||||||||||||||
| InChIKey |
BZIVJYCHNPZJHO-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
| Cell Line ID | Cell Line Name | Cell Line Organism | |
| CL000084 | SK-OV-3 | Homo sapiens (Human) | 1 |
| 1 |
GI50 = 3990 nM
|
TI
LI
LO
TS
|
|
|---|---|---|---|
| CL000619 | SK-MEL-2 | Homo sapiens (Human) | 1 |
| 1 |
GI50 = 1800 nM
|
TI
LI
LO
TS
|
|